General Information of Target

Target ID LDTP04518
Target Name DNA mismatch repair protein Msh6 (MSH6)
Gene Name MSH6
Gene ID 2956
Synonyms
GTBP; DNA mismatch repair protein Msh6; hMSH6; G/T mismatch-binding protein; GTBP; GTMBP; MutS protein homolog 6; MutS-alpha 160 kDa subunit; p160
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSRQSTLYSFFPKSPALSDANKASARASREGGRAAAAPGASPSPGGDAAWSEAGPGPRPL
ARSASPPKAKNLNGGLRRSVAPAAPTSCDFSPGDLVWAKMEGYPWWPCLVYNHPFDGTFI
REKGKSVRVHVQFFDDSPTRGWVSKRLLKPYTGSKSKEAQKGGHFYSAKPEILRAMQRAD
EALNKDKIKRLELAVCDEPSEPEEEEEMEVGTTYVTDKSEEDNEIESEEEVQPKTQGSRR
SSRQIKKRRVISDSESDIGGSDVEFKPDTKEEGSSDEISSGVGDSESEGLNSPVKVARKR
KRMVTGNGSLKRKSSRKETPSATKQATSISSETKNTLRAFSAPQNSESQAHVSGGGDDSS
RPTVWYHETLEWLKEEKRRDEHRRRPDHPDFDASTLYVPEDFLNSCTPGMRKWWQIKSQN
FDLVICYKVGKFYELYHMDALIGVSELGLVFMKGNWAHSGFPEIAFGRYSDSLVQKGYKV
ARVEQTETPEMMEARCRKMAHISKYDRVVRREICRIITKGTQTYSVLEGDPSENYSKYLL
SLKEKEEDSSGHTRAYGVCFVDTSLGKFFIGQFSDDRHCSRFRTLVAHYPPVQVLFEKGN
LSKETKTILKSSLSCSLQEGLIPGSQFWDASKTLRTLLEEEYFREKLSDGIGVMLPQVLK
GMTSESDSIGLTPGEKSELALSALGGCVFYLKKCLIDQELLSMANFEEYIPLDSDTVSTT
RSGAIFTKAYQRMVLDAVTLNNLEIFLNGTNGSTEGTLLERVDTCHTPFGKRLLKQWLCA
PLCNHYAINDRLDAIEDLMVVPDKISEVVELLKKLPDLERLLSKIHNVGSPLKSQNHPDS
RAIMYEETTYSKKKIIDFLSALEGFKVMCKIIGIMEEVADGFKSKILKQVISLQTKNPEG
RFPDLTVELNRWDTAFDHEKARKTGLITPKAGFDSDYDQALADIRENEQSLLEYLEKQRN
RIGCRTIVYWGIGRNRYQLEIPENFTTRNLPEEYELKSTKKGCKRYWTKTIEKKLANLIN
AEERRDVSLKDCMRRLFYNFDKNYKDWQSAVECIAVLDVLLCLANYSRGGDGPMCRPVIL
LPEDTPPFLELKGSRHPCITKTFFGDDFIPNDILIGCEEEEQENGKAYCVLVTGPNMGGK
STLMRQAGLLAVMAQMGCYVPAEVCRLTPIDRVFTRLGASDRIMSGESTFFVELSETASI
LMHATAHSLVLVDELGRGTATFDGTAIANAVVKELAETIKCRTLFSTHYHSLVEDYSQNV
AVRLGHMACMVENECEDPSQETITFLYKFIKGACPKSYGFNAARLANLPEEVIQKGHRKA
REFEKMNQSLRLFREVCLASERSTVDAEAVHKLLTLIKEL
Target Bioclass
Other
Family
DNA mismatch repair MutS family
Subcellular location
Nucleus
Function
Component of the post-replicative DNA mismatch repair system (MMR). Heterodimerizes with MSH2 to form MutS alpha, which binds to DNA mismatches thereby initiating DNA repair. When bound, MutS alpha bends the DNA helix and shields approximately 20 base pairs, and recognizes single base mismatches and dinucleotide insertion-deletion loops (IDL) in the DNA. After mismatch binding, forms a ternary complex with the MutL alpha heterodimer, which is thought to be responsible for directing the downstream MMR events, including strand discrimination, excision, and resynthesis. ATP binding and hydrolysis play a pivotal role in mismatch repair functions. The ATPase activity associated with MutS alpha regulates binding similar to a molecular switch: mismatched DNA provokes ADP-->ATP exchange, resulting in a discernible conformational transition that converts MutS alpha into a sliding clamp capable of hydrolysis-independent diffusion along the DNA backbone. This transition is crucial for mismatch repair. MutS alpha may also play a role in DNA homologous recombination repair. Recruited on chromatin in G1 and early S phase via its PWWP domain that specifically binds trimethylated 'Lys-36' of histone H3 (H3K36me3): early recruitment to chromatin to be replicated allowing a quick identification of mismatch repair to initiate the DNA mismatch repair reaction.
Uniprot ID
P52701
Ensemble ID
ENST00000234420.11
HGNC ID
HGNC:7329
ChEMBL ID
CHEMBL4739849

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
AN3CA Deletion: p.F1088SfsTer2 DBIA    Probe Info 
AU565 SNV: p.S79L DBIA    Probe Info 
CHL1 SNV: p.S1208F DBIA    Probe Info 
DU145 SNV: p.S1067I DBIA    Probe Info 
EFO27 Deletion: p.F1088SfsTer2 DBIA    Probe Info 
FTC133 Deletion: p.D1046TfsTer6 DBIA    Probe Info 
HCC1395 SNV: p.D1255N DBIA    Probe Info 
HCT116 Insertion: p.F1088LfsTer5 DBIA    Probe Info 
HCT15 Deletion: p.L290Ter;p.D1171Ter;p.R1172del
SNV: p.T1189I
DBIA    Probe Info 
HEC1 Deletion: p.F1088SfsTer2
SNV: .
DBIA    Probe Info 
HEC1B Deletion: p.F1088SfsTer2
SNV: .
.
HT SNV: p.V800A DBIA    Probe Info 
HT115 SNV: p.E1322Ter DBIA    Probe Info 
HUPT4 SNV: p.V263M DBIA    Probe Info 
IGROV1 Deletion: p.F1088SfsTer2 DBIA    Probe Info 
Ishikawa (Heraklio) 02 ER Deletion: p.F1088SfsTer2
SNV: p.I1183T
DBIA    Probe Info 
JURKAT Deletion: p.F1088SfsTer2 .
KO52 SNV: p.A1050T DBIA    Probe Info 
LS180 Deletion: p.F1088SfsTer2 DBIA    Probe Info 
MFE296 SNV: p.A1055V DBIA    Probe Info 
MOLT4 Deletion: p.D284IfsTer7 IA-alkyne    Probe Info 
NCIH1155 SNV: p.R911Ter DBIA    Probe Info 
OPM2 SNV: p.H164R DBIA    Probe Info 
OVCAR8 SNV: p.T727S DBIA    Probe Info 
PANC0403 SNV: p.C108S DBIA    Probe Info 
PF382 SNV: p.Y1006N DBIA    Probe Info 
RBE SNV: p.C1098W DBIA    Probe Info 
RKO Deletion: p.Y1066Ter DBIA    Probe Info 
SAOS2 SNV: p.T716A DBIA    Probe Info 
SNGM SNV: p.T1219I DBIA    Probe Info 
SUPT1 Insertion: p.G1105WfsTer3 DBIA    Probe Info 
TOV21G SNV: p.A35T DBIA    Probe Info 
VCAP Insertion: p.F1088LfsTer5 DBIA    Probe Info 
YSCCC SNV: p.F689L DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 40 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info 
15.00  LDD0402  [1]
A-EBA
 Probe Info 
3.27  LDD0215  [2]
11RK72
 Probe Info 
4.52  LDD0327  [3]
11RK73
 Probe Info 
4.85  LDD0328  [3]
CY-1
 Probe Info 
100.00  LDD0243  [4]
N1
 Probe Info 
100.00  LDD0242  [4]
TH211
 Probe Info 
Y469(20.00); Y642(16.41); Y977(14.45); Y1298(14.00)  LDD0257  [5]
TH216
 Probe Info 
Y850(20.00); Y642(12.03); Y589(11.15)  LDD0259  [5]
ONAyne
 Probe Info 
K1315(0.73)  LDD0274  [6]
BTD
 Probe Info 
C1098(2.11); C765(3.00)  LDD1699  [7]
Probe 1
 Probe Info 
Y524(35.34); Y535(12.12); Y642(25.69); Y937(13.31)  LDD3495  [8]
AHL-Pu-1
 Probe Info 
C1098(4.83)  LDD0168  [9]
EA-probe
 Probe Info 
C615(0.92)  LDD2210  [10]
HHS-475
 Probe Info 
Y166(0.37)  LDD0264  [11]
HHS-465
 Probe Info 
Y166(10.00); Y8(10.00)  LDD2237  [12]
DBIA
 Probe Info 
C615(1.10); C1337(1.10); C1269(1.04); C1275(1.04)  LDD0078  [13]
5E-2FA
 Probe Info 
N.A.  LDD2235  [14]
ATP probe
 Probe Info 
N.A.  LDD0199  [15]
IA-alkyne
 Probe Info 
N.A.  LDD0032  [16]
JW-RF-010
 Probe Info 
N.A.  LDD0026  [17]
NAIA_4
 Probe Info 
C88(0.00); C615(0.00)  LDD2226  [18]
TFBX
 Probe Info 
C1337(0.00); C559(0.00)  LDD0027  [17]
WYneN
 Probe Info 
C1337(0.00); C615(0.00); C1098(0.00); C765(0.00)  LDD0021  [19]
WYneO
 Probe Info 
C765(0.00); C1337(0.00)  LDD0022  [19]
1d-yne
 Probe Info 
N.A.  LDD0356  [20]
IPM
 Probe Info 
C765(0.00); C1165(0.00)  LDD0005  [19]
NHS
 Probe Info 
K957(0.00); K1014(0.00)  LDD0010  [19]
PF-06672131
 Probe Info 
N.A.  LDD0017  [21]
SF
 Probe Info 
N.A.  LDD0028  [22]
STPyne
 Probe Info 
N.A.  LDD0009  [19]
VSF
 Probe Info 
C1337(0.00); C615(0.00); C88(0.00)  LDD0007  [19]
Phosphinate-6
 Probe Info 
C88(0.00); C615(0.00); C1075(0.00); C1294(0.00)  LDD0018  [23]
1c-yne
 Probe Info 
N.A.  LDD0228  [20]
Acrolein
 Probe Info 
C88(0.00); C1129(0.00); C559(0.00); C765(0.00)  LDD0217  [24]
Crotonaldehyde
 Probe Info 
C559(0.00); C1129(0.00)  LDD0219  [24]
Methacrolein
 Probe Info 
C1129(0.00); C559(0.00); C765(0.00); C1337(0.00)  LDD0218  [24]
W1
 Probe Info 
C88(0.00); C1075(0.00); C765(0.00); C1129(0.00)  LDD0236  [25]
AOyne
 Probe Info 
9.60  LDD0443  [26]
NAIA_5
 Probe Info 
C1032(0.00); C1294(0.00); C687(0.00); C1098(0.00)  LDD2223  [18]
HHS-482
 Probe Info 
Y469(0.71); Y535(0.85)  LDD2239  [12]
PAL-AfBPP Probe
Click To Hide/Show 10 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info 
8.46  LDD0475  [27]
FFF probe2
 Probe Info 
13.57  LDD0463  [27]
FFF probe3
 Probe Info 
15.89  LDD0464  [27]
FFF probe4
 Probe Info 
20.00  LDD0466  [27]
STS-1
 Probe Info 
N.A.  LDD0136  [28]
STS-2
 Probe Info 
N.A.  LDD0138  [28]
VE-P
 Probe Info 
N.A.  LDD0396  [29]
SAHA-CA-8PAP
 Probe Info 
4.33  LDD0362  [30]
DA-2
 Probe Info 
N.A.  LDD0071  [31]
OEA-DA
 Probe Info 
3.34  LDD0046  [32]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C765(0.70); C1032(0.60); C1241(0.45)  LDD2142  [7]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C765(0.99); C1032(0.68); C1241(0.94)  LDD2112  [7]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C765(1.34)  LDD2095  [7]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C765(0.80)  LDD2130  [7]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C765(0.97); C1032(1.13); C1241(0.77); C1075(1.23)  LDD2117  [7]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C765(1.37); C1032(1.96); C1098(0.91); C1075(1.46)  LDD2152  [7]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C765(0.83); C1032(1.18)  LDD2103  [7]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C1032(0.67)  LDD2132  [7]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C765(1.71); C1032(1.09)  LDD2131  [7]
 LDCM0025  4SU-RNA HEK-293T C1098(4.83)  LDD0168  [9]
 LDCM0026  4SU-RNA+native RNA HEK-293T C615(2.10); C1275(2.95); C88(2.27)  LDD0169  [9]
 LDCM0214  AC1 HCT 116 C1075(1.08); C1158(0.64); C1165(0.64); C1269(1.06)  LDD0531  [13]
 LDCM0215  AC10 HCT 116 C1075(1.16); C1129(0.80); C1158(0.52); C1165(0.52)  LDD0532  [13]
 LDCM0216  AC100 HCT 116 C1075(0.77); C1129(1.01); C1158(0.54); C1165(0.54)  LDD0533  [13]
 LDCM0217  AC101 HCT 116 C1075(0.73); C1129(1.22); C1158(0.51); C1165(0.51)  LDD0534  [13]
 LDCM0218  AC102 HCT 116 C1075(0.92); C1129(1.20); C1158(0.43); C1165(0.43)  LDD0535  [13]
 LDCM0219  AC103 HCT 116 C1075(0.69); C1129(0.86); C1158(0.38); C1165(0.38)  LDD0536  [13]
 LDCM0220  AC104 HCT 116 C1075(1.03); C1129(1.03); C1158(0.35); C1165(0.35)  LDD0537  [13]
 LDCM0221  AC105 HCT 116 C1075(0.74); C1129(1.07); C1158(0.37); C1165(0.37)  LDD0538  [13]
 LDCM0222  AC106 HCT 116 C1075(0.75); C1129(1.04); C1158(0.28); C1165(0.28)  LDD0539  [13]
 LDCM0223  AC107 HCT 116 C1075(0.71); C1129(0.99); C1158(0.28); C1165(0.28)  LDD0540  [13]
 LDCM0224  AC108 HCT 116 C1075(0.64); C1129(0.97); C1158(0.56); C1165(0.56)  LDD0541  [13]
 LDCM0225  AC109 HCT 116 C1075(0.91); C1129(1.09); C1158(0.57); C1165(0.57)  LDD0542  [13]
 LDCM0226  AC11 HCT 116 C1075(0.98); C1129(0.82); C1158(0.54); C1165(0.54)  LDD0543  [13]
 LDCM0227  AC110 HCT 116 C1075(0.72); C1129(1.05); C1158(0.68); C1165(0.68)  LDD0544  [13]
 LDCM0228  AC111 HCT 116 C1075(0.72); C1129(0.90); C1158(0.60); C1165(0.60)  LDD0545  [13]
 LDCM0229  AC112 HCT 116 C1075(0.70); C1129(0.85); C1158(0.34); C1165(0.34)  LDD0546  [13]
 LDCM0230  AC113 HCT 116 C1075(1.16); C1129(1.18); C1158(0.74); C1165(0.74)  LDD0547  [13]
 LDCM0231  AC114 HCT 116 C1075(1.14); C1129(1.26); C1158(0.70); C1165(0.70)  LDD0548  [13]
 LDCM0232  AC115 HCT 116 C1075(1.03); C1129(1.35); C1158(0.51); C1165(0.51)  LDD0549  [13]
 LDCM0233  AC116 HCT 116 C1075(1.07); C1129(1.27); C1158(0.44); C1165(0.44)  LDD0550  [13]
 LDCM0234  AC117 HCT 116 C1075(1.12); C1129(1.37); C1158(0.60); C1165(0.60)  LDD0551  [13]
 LDCM0235  AC118 HCT 116 C1075(1.08); C1129(1.13); C1158(0.69); C1165(0.69)  LDD0552  [13]
 LDCM0236  AC119 HCT 116 C1075(1.08); C1129(1.20); C1158(0.49); C1165(0.49)  LDD0553  [13]
 LDCM0237  AC12 HCT 116 C1075(1.11); C1129(0.91); C1158(0.67); C1165(0.67)  LDD0554  [13]
 LDCM0238  AC120 HCT 116 C1075(1.12); C1129(1.15); C1158(0.55); C1165(0.55)  LDD0555  [13]
 LDCM0239  AC121 HCT 116 C1075(1.13); C1129(1.07); C1158(0.55); C1165(0.55)  LDD0556  [13]
 LDCM0240  AC122 HCT 116 C1075(0.97); C1129(1.03); C1158(0.56); C1165(0.56)  LDD0557  [13]
 LDCM0241  AC123 HCT 116 C1075(1.15); C1129(1.03); C1158(0.68); C1165(0.68)  LDD0558  [13]
 LDCM0242  AC124 HCT 116 C1075(1.14); C1129(1.31); C1158(0.74); C1165(0.74)  LDD0559  [13]
 LDCM0243  AC125 HCT 116 C1075(1.18); C1129(1.36); C1158(0.56); C1165(0.56)  LDD0560  [13]
 LDCM0244  AC126 HCT 116 C1075(1.14); C1129(1.40); C1158(0.47); C1165(0.47)  LDD0561  [13]
 LDCM0245  AC127 HCT 116 C1075(1.10); C1129(1.10); C1158(0.50); C1165(0.50)  LDD0562  [13]
 LDCM0246  AC128 HCT 116 C1075(1.08); C1129(1.01); C1158(0.92); C1165(0.92)  LDD0563  [13]
 LDCM0247  AC129 HCT 116 C1075(1.18); C1129(0.87); C1158(2.00); C1165(2.00)  LDD0564  [13]
 LDCM0249  AC130 HCT 116 C1075(1.01); C1129(0.93); C1158(1.15); C1165(1.15)  LDD0566  [13]
 LDCM0250  AC131 HCT 116 C1075(1.01); C1129(0.75); C1158(1.98); C1165(1.98)  LDD0567  [13]
 LDCM0251  AC132 HCT 116 C1075(1.26); C1129(0.89); C1158(1.11); C1165(1.11)  LDD0568  [13]
 LDCM0252  AC133 HCT 116 C1075(1.14); C1129(0.95); C1158(0.92); C1165(0.92)  LDD0569  [13]
 LDCM0253  AC134 HCT 116 C1075(1.01); C1129(0.93); C1158(0.94); C1165(0.94)  LDD0570  [13]
 LDCM0254  AC135 HCT 116 C1075(0.95); C1129(0.89); C1158(0.93); C1165(0.93)  LDD0571  [13]
 LDCM0255  AC136 HCT 116 C1075(1.05); C1129(0.93); C1158(0.96); C1165(0.96)  LDD0572  [13]
 LDCM0256  AC137 HCT 116 C1075(0.93); C1129(0.92); C1158(0.98); C1165(0.98)  LDD0573  [13]
 LDCM0257  AC138 HCT 116 C1075(1.02); C1129(0.95); C1158(0.88); C1165(0.88)  LDD0574  [13]
 LDCM0258  AC139 HCT 116 C1075(1.24); C1129(0.88); C1158(0.88); C1165(0.88)  LDD0575  [13]
 LDCM0259  AC14 HCT 116 C1075(1.17); C1129(1.01); C1158(0.59); C1165(0.59)  LDD0576  [13]
 LDCM0260  AC140 HCT 116 C1075(0.92); C1129(0.93); C1158(0.84); C1165(0.84)  LDD0577  [13]
 LDCM0261  AC141 HCT 116 C1075(0.89); C1129(0.87); C1158(0.92); C1165(0.92)  LDD0578  [13]
 LDCM0262  AC142 HCT 116 C1075(1.34); C1129(1.20); C1158(1.56); C1165(1.56)  LDD0579  [13]
 LDCM0263  AC143 HCT 116 C1075(0.88); C765(0.89); C1129(0.92); C779(0.93)  LDD0580  [13]
 LDCM0264  AC144 HCT 116 C765(0.44); C779(0.67); C783(0.67); C1158(0.86)  LDD0581  [13]
 LDCM0265  AC145 HCT 116 C765(0.71); C1158(0.83); C1165(0.83); C779(0.92)  LDD0582  [13]
 LDCM0266  AC146 HCT 116 C765(0.61); C779(0.68); C783(0.68); C1158(0.71)  LDD0583  [13]
 LDCM0267  AC147 HCT 116 C765(0.44); C1158(0.57); C1165(0.57); C779(0.80)  LDD0584  [13]
 LDCM0268  AC148 HCT 116 C765(0.48); C779(0.68); C783(0.68); C1158(0.78)  LDD0585  [13]
 LDCM0269  AC149 HCT 116 C765(0.46); C406(0.61); C1158(0.68); C1165(0.68)  LDD0586  [13]
 LDCM0270  AC15 HCT 116 C1158(0.46); C1165(0.46); C1129(0.76); C559(0.88)  LDD0587  [13]
 LDCM0271  AC150 HCT 116 C1158(0.73); C1165(0.73); C406(0.74); C765(0.77)  LDD0588  [13]
 LDCM0272  AC151 HCT 116 C765(0.78); C559(0.94); C406(0.95); C779(0.96)  LDD0589  [13]
 LDCM0273  AC152 HCT 116 C765(0.42); C406(0.73); C1158(0.74); C1165(0.74)  LDD0590  [13]
 LDCM0274  AC153 HCT 116 C765(0.49); C779(0.70); C783(0.70); C559(0.76)  LDD0591  [13]
 LDCM0621  AC154 HCT 116 C1075(1.12); C1129(1.39); C1158(0.73); C1165(0.73)  LDD2158  [13]
 LDCM0622  AC155 HCT 116 C1075(1.26); C1129(1.29); C1158(0.76); C1165(0.76)  LDD2159  [13]
 LDCM0623  AC156 HCT 116 C1075(1.23); C1129(1.29); C1158(1.19); C1165(1.19)  LDD2160  [13]
 LDCM0624  AC157 HCT 116 C1075(1.19); C1129(1.27); C1158(2.09); C1165(2.09)  LDD2161  [13]
 LDCM0276  AC17 HCT 116 C1129(0.87); C559(0.95); C765(0.95); C1337(0.99)  LDD0593  [13]
 LDCM0277  AC18 HCT 116 C1158(0.64); C1337(0.75); C1165(0.81); C559(0.88)  LDD0594  [13]
 LDCM0278  AC19 HCT 116 C1129(0.76); C1337(0.82); C406(0.84); C559(0.89)  LDD0595  [13]
 LDCM0279  AC2 HCT 116 C1158(0.60); C1165(0.60); C1269(0.81); C1275(0.81)  LDD0596  [13]
 LDCM0280  AC20 HCT 116 C1129(0.73); C765(0.79); C1075(0.86); C559(0.88)  LDD0597  [13]
 LDCM0281  AC21 HCT 116 C1129(0.72); C1337(0.78); C1158(0.81); C1075(0.85)  LDD0598  [13]
 LDCM0282  AC22 HCT 116 C1129(0.70); C406(0.87); C615(0.89); C559(0.92)  LDD0599  [13]
 LDCM0283  AC23 HCT 116 C1129(0.69); C406(0.86); C1337(0.86); C559(0.87)  LDD0600  [13]
 LDCM0284  AC24 HCT 116 C765(0.81); C1337(0.90); C406(0.91); C88(0.99)  LDD0601  [13]
 LDCM0285  AC25 HCT 116 C1158(0.59); C1165(0.59); C1337(0.75); C1129(0.90)  LDD0602  [13]
 LDCM0286  AC26 HCT 116 C1158(0.47); C1165(0.47); C1269(0.67); C1275(0.67)  LDD0603  [13]
 LDCM0287  AC27 HCT 116 C1158(0.49); C1165(0.49); C1075(0.75); C765(0.76)  LDD0604  [13]
 LDCM0288  AC28 HCT 116 C1158(0.53); C1165(0.53); C1337(0.64); C1269(0.69)  LDD0605  [13]
 LDCM0289  AC29 HCT 116 C779(0.52); C783(0.52); C1158(0.58); C1165(0.58)  LDD0606  [13]
 LDCM0290  AC3 HCT 116 C1158(0.55); C1165(0.55); C1269(0.85); C1275(0.85)  LDD0607  [13]
 LDCM0291  AC30 HCT 116 C1158(0.53); C1165(0.53); C779(0.60); C783(0.60)  LDD0608  [13]
 LDCM0292  AC31 HCT 116 C1158(0.52); C1165(0.52); C559(0.79); C1075(0.81)  LDD0609  [13]
 LDCM0293  AC32 HCT 116 C1158(0.41); C1165(0.41); C765(0.63); C559(0.65)  LDD0610  [13]
 LDCM0294  AC33 HCT 116 C1158(0.46); C1165(0.46); C1337(0.63); C765(0.65)  LDD0611  [13]
 LDCM0295  AC34 HCT 116 C1158(0.47); C1165(0.47); C559(0.60); C765(0.61)  LDD0612  [13]
 LDCM0296  AC35 HCT 116 C1129(0.80); C88(0.82); C615(0.96); C406(0.98)  LDD0613  [13]
 LDCM0297  AC36 HCT 116 C615(0.60); C1129(0.72); C1269(0.77); C1275(0.77)  LDD0614  [13]
 LDCM0298  AC37 HCT 116 C615(0.73); C1129(0.75); C1269(0.77); C1275(0.77)  LDD0615  [13]
 LDCM0299  AC38 HCT 116 C1269(0.72); C1275(0.72); C88(0.81); C615(0.85)  LDD0616  [13]
 LDCM0300  AC39 HCT 116 C1269(0.65); C1275(0.65); C1158(0.79); C1165(0.79)  LDD0617  [13]
 LDCM0301  AC4 HCT 116 C1158(0.40); C1165(0.40); C559(0.87); C1269(0.91)  LDD0618  [13]
 LDCM0302  AC40 HCT 116 C1075(0.82); C1269(0.83); C1275(0.83); C1158(0.88)  LDD0619  [13]
 LDCM0303  AC41 HCT 116 C1269(0.68); C1275(0.68); C1129(0.82); C1158(0.82)  LDD0620  [13]
 LDCM0304  AC42 HCT 116 C1158(0.81); C1165(0.81); C1129(0.87); C765(0.87)  LDD0621  [13]
 LDCM0305  AC43 HCT 116 C1269(0.80); C1275(0.80); C1129(0.81); C615(0.84)  LDD0622  [13]
 LDCM0306  AC44 HCT 116 C1158(0.76); C1165(0.76); C1129(0.80); C765(0.85)  LDD0623  [13]
 LDCM0307  AC45 HCT 116 C765(0.86); C559(0.89); C406(0.89); C1158(0.89)  LDD0624  [13]
 LDCM0308  AC46 HCT 116 C1075(0.80); C1129(0.91); C765(0.94); C559(1.00)  LDD0625  [13]
 LDCM0309  AC47 HCT 116 C779(0.82); C783(0.82); C1129(0.88); C1075(0.89)  LDD0626  [13]
 LDCM0310  AC48 HCT 116 C1075(0.86); C779(0.98); C783(0.98); C1129(0.99)  LDD0627  [13]
 LDCM0311  AC49 HCT 116 C1075(0.76); C765(0.76); C559(0.89); C1337(0.96)  LDD0628  [13]
 LDCM0312  AC5 HCT 116 C1158(0.36); C1165(0.36); C1269(0.83); C1275(0.83)  LDD0629  [13]
 LDCM0313  AC50 HCT 116 C765(0.72); C1075(0.82); C1337(0.95); C1129(0.98)  LDD0630  [13]
 LDCM0314  AC51 HCT 116 C1075(0.76); C615(0.79); C779(0.82); C783(0.82)  LDD0631  [13]
 LDCM0315  AC52 HCT 116 C765(0.82); C1075(0.83); C1129(0.90); C406(0.94)  LDD0632  [13]
 LDCM0316  AC53 HCT 116 C765(0.78); C1075(0.84); C779(0.85); C783(0.85)  LDD0633  [13]
 LDCM0317  AC54 HCT 116 C765(0.72); C1075(0.91); C779(0.94); C783(0.94)  LDD0634  [13]
 LDCM0318  AC55 HCT 116 C559(0.70); C779(0.89); C783(0.89); C1075(0.91)  LDD0635  [13]
 LDCM0319  AC56 HCT 116 C765(0.84); C559(0.86); C1075(0.87); C779(0.92)  LDD0636  [13]
 LDCM0320  AC57 HCT 116 C559(0.54); C765(0.67); C1129(0.86); C1075(0.90)  LDD0637  [13]
 LDCM0321  AC58 HCT 116 C559(0.64); C765(0.65); C779(0.78); C783(0.78)  LDD0638  [13]
 LDCM0322  AC59 HCT 116 C559(0.57); C765(0.58); C779(0.78); C783(0.78)  LDD0639  [13]
 LDCM0323  AC6 HCT 116 C1158(0.62); C1165(0.62); C559(0.78); C765(0.83)  LDD0640  [13]
 LDCM0324  AC60 HCT 116 C559(0.55); C765(0.59); C1129(0.77); C779(0.90)  LDD0641  [13]
 LDCM0325  AC61 HCT 116 C559(0.70); C765(0.77); C1129(0.92); C779(0.94)  LDD0642  [13]
 LDCM0326  AC62 HCT 116 C559(0.51); C765(0.57); C1129(0.80); C1075(0.96)  LDD0643  [13]
 LDCM0327  AC63 HCT 116 C559(0.55); C765(0.59); C1129(0.84); C406(0.90)  LDD0644  [13]
 LDCM0328  AC64 HCT 116 C559(0.52); C765(0.59); C1129(0.96); C1075(0.99)  LDD0645  [13]
 LDCM0329  AC65 HCT 116 C559(0.64); C765(0.67); C779(0.82); C783(0.82)  LDD0646  [13]
 LDCM0330  AC66 HCT 116 C559(0.69); C765(0.72); C1129(0.90); C406(0.96)  LDD0647  [13]
 LDCM0331  AC67 HCT 116 C765(0.56); C559(0.72); C1129(0.87); C406(0.92)  LDD0648  [13]
 LDCM0332  AC68 HCT 116 C1158(0.64); C1165(0.64); C765(0.84); C1129(0.94)  LDD0649  [13]
 LDCM0333  AC69 HCT 116 C1158(0.72); C1165(0.72); C615(0.78); C765(0.88)  LDD0650  [13]
 LDCM0334  AC7 HCT 116 C1158(0.55); C1165(0.55); C559(0.91); C1129(0.99)  LDD0651  [13]
 LDCM0335  AC70 HCT 116 C1158(0.52); C1165(0.52); C406(0.76); C765(0.77)  LDD0652  [13]
 LDCM0336  AC71 HCT 116 C1158(0.63); C1165(0.63); C615(0.74); C1269(0.89)  LDD0653  [13]
 LDCM0337  AC72 HCT 116 C1158(0.69); C1165(0.69); C779(0.72); C783(0.72)  LDD0654  [13]
 LDCM0338  AC73 HCT 116 C1158(0.76); C1165(0.76); C765(0.81); C1075(0.91)  LDD0655  [13]
 LDCM0339  AC74 HCT 116 C615(0.75); C1158(0.84); C1165(0.84); C765(0.91)  LDD0656  [13]
 LDCM0340  AC75 HCT 116 C1158(0.83); C1165(0.83); C765(0.88); C1075(0.98)  LDD0657  [13]
 LDCM0341  AC76 HCT 116 C1158(0.60); C1165(0.60); C615(0.67); C765(0.82)  LDD0658  [13]
 LDCM0342  AC77 HCT 116 C1158(0.63); C1165(0.63); C765(0.75); C779(0.76)  LDD0659  [13]
 LDCM0343  AC78 HCT 116 C779(0.84); C783(0.84); C615(0.86); C1158(0.87)  LDD0660  [13]
 LDCM0344  AC79 HCT 116 C1158(0.58); C1165(0.58); C765(0.84); C779(0.84)  LDD0661  [13]
 LDCM0345  AC8 HCT 116 C1158(0.54); C1165(0.54); C765(0.89); C559(0.92)  LDD0662  [13]
 LDCM0346  AC80 HCT 116 C1158(0.62); C1165(0.62); C615(0.69); C765(0.75)  LDD0663  [13]
 LDCM0347  AC81 HCT 116 C1158(0.88); C1165(0.88); C615(0.92); C88(0.98)  LDD0664  [13]
 LDCM0348  AC82 HCT 116 C1158(0.81); C1165(0.81); C615(0.84); C1075(0.95)  LDD0665  [13]
 LDCM0349  AC83 HCT 116 C406(0.59); C765(0.61); C1269(0.63); C1275(0.63)  LDD0666  [13]
 LDCM0350  AC84 HCT 116 C765(0.61); C426(0.64); C779(0.71); C783(0.71)  LDD0667  [13]
 LDCM0351  AC85 HCT 116 C1269(0.66); C1275(0.66); C779(0.67); C783(0.67)  LDD0668  [13]
 LDCM0352  AC86 HCT 116 C1158(0.61); C1165(0.61); C1075(0.65); C1129(0.66)  LDD0669  [13]
 LDCM0353  AC87 HCT 116 C779(0.51); C783(0.51); C406(0.77); C1269(0.83)  LDD0670  [13]
 LDCM0354  AC88 HCT 116 C406(0.57); C779(0.59); C783(0.59); C1129(0.61)  LDD0671  [13]
 LDCM0355  AC89 HCT 116 C406(0.53); C426(0.58); C765(0.60); C1129(0.64)  LDD0672  [13]
 LDCM0357  AC90 HCT 116 C1158(0.51); C1165(0.51); C1269(0.54); C1275(0.54)  LDD0674  [13]
 LDCM0358  AC91 HCT 116 C765(0.59); C426(0.65); C406(0.67); C1075(0.72)  LDD0675  [13]
 LDCM0359  AC92 HCT 116 C1269(0.58); C1275(0.58); C426(0.59); C765(0.59)  LDD0676  [13]
 LDCM0360  AC93 HCT 116 C406(0.55); C1269(0.63); C1275(0.63); C779(0.67)  LDD0677  [13]
 LDCM0361  AC94 HCT 116 C1269(0.55); C1275(0.55); C406(0.63); C1158(0.70)  LDD0678  [13]
 LDCM0362  AC95 HCT 116 C1269(0.53); C1275(0.53); C1158(0.65); C1165(0.65)  LDD0679  [13]
 LDCM0363  AC96 HCT 116 C426(0.58); C1269(0.59); C1275(0.59); C1129(0.60)  LDD0680  [13]
 LDCM0364  AC97 HCT 116 C1269(0.49); C1275(0.49); C426(0.56); C779(0.59)  LDD0681  [13]
 LDCM0365  AC98 HCT 116 C765(0.33); C1158(0.37); C1165(0.37); C779(0.50)  LDD0682  [13]
 LDCM0366  AC99 HCT 116 C779(0.55); C783(0.55); C1158(0.56); C1165(0.56)  LDD0683  [13]
 LDCM0545  Acetamide MDA-MB-231 C765(0.48); C1032(0.61); C1241(0.40)  LDD2138  [7]
 LDCM0520  AKOS000195272 MDA-MB-231 C765(0.73)  LDD2113  [7]
 LDCM0248  AKOS034007472 HCT 116 C1075(0.99); C1129(1.04); C1158(0.62); C1165(0.62)  LDD0565  [13]
 LDCM0356  AKOS034007680 HCT 116 C1158(0.52); C1165(0.52); C559(0.84); C1129(0.88)  LDD0673  [13]
 LDCM0275  AKOS034007705 HCT 116 C1158(0.47); C1165(0.47); C765(0.69); C559(0.80)  LDD0592  [13]
 LDCM0156  Aniline NCI-H1299 C615(0.00); C88(0.00)  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C615(1.10); C1337(1.10); C1269(1.04); C1275(1.04)  LDD0078  [13]
 LDCM0498  BS-3668 MDA-MB-231 C765(0.75); C1241(0.54); C1098(0.39); C1075(0.38)  LDD2091  [7]
 LDCM0108  Chloroacetamide HeLa C88(0.00); C559(0.00); H1351(0.00); C615(0.00)  LDD0222  [24]
 LDCM0632  CL-Sc Hep-G2 C1075(20.00); C615(1.73); C88(0.63); C1294(0.53)  LDD2227  [18]
 LDCM0367  CL1 HCT 116 C1337(0.66); C765(0.73); C1075(0.77); C1129(0.79)  LDD0684  [13]
 LDCM0368  CL10 HCT 116 C1337(0.45); C406(0.91); C88(0.92); C559(0.94)  LDD0685  [13]
 LDCM0369  CL100 HCT 116 C1158(0.41); C1165(0.41); C1269(0.79); C1275(0.79)  LDD0686  [13]
 LDCM0370  CL101 HCT 116 C1158(0.44); C1165(0.44); C1129(0.76); C765(0.77)  LDD0687  [13]
 LDCM0371  CL102 HCT 116 C1158(0.74); C1165(0.74); C559(0.85); C1129(0.95)  LDD0688  [13]
 LDCM0372  CL103 HCT 116 C1158(0.73); C1165(0.73); C1129(0.89); C559(0.95)  LDD0689  [13]
 LDCM0373  CL104 HCT 116 C1129(0.85); C1158(0.89); C1165(0.89); C1337(0.93)  LDD0690  [13]
 LDCM0374  CL105 HCT 116 C1158(0.63); C1165(0.70); C1129(0.73); C1337(0.88)  LDD0691  [13]
 LDCM0375  CL106 HCT 116 C1158(0.60); C1165(0.71); C1129(0.72); C559(0.92)  LDD0692  [13]
 LDCM0376  CL107 HCT 116 C1158(0.52); C1165(0.60); C1129(0.68); C559(0.87)  LDD0693  [13]
 LDCM0377  CL108 HCT 116 C1158(0.58); C1165(0.74); C1129(0.81); C406(0.88)  LDD0694  [13]
 LDCM0378  CL109 HCT 116 C1158(0.71); C1129(0.76); C1337(0.78); C559(0.82)  LDD0695  [13]
 LDCM0379  CL11 HCT 116 C1337(0.64); C765(0.86); C88(0.87); C1129(0.88)  LDD0696  [13]
 LDCM0380  CL110 HCT 116 C1158(0.60); C1337(0.67); C1129(0.67); C1165(0.70)  LDD0697  [13]
 LDCM0381  CL111 HCT 116 C1129(0.69); C1337(0.70); C1158(0.76); C765(0.81)  LDD0698  [13]
 LDCM0382  CL112 HCT 116 C1158(0.58); C1165(0.58); C765(0.92); C406(0.94)  LDD0699  [13]
 LDCM0383  CL113 HCT 116 C1158(0.44); C1165(0.44); C779(0.55); C783(0.55)  LDD0700  [13]
 LDCM0384  CL114 HCT 116 C1158(0.57); C1165(0.57); C779(0.73); C783(0.73)  LDD0701  [13]
 LDCM0385  CL115 HCT 116 C1158(0.51); C1165(0.51); C1075(0.72); C765(0.72)  LDD0702  [13]
 LDCM0386  CL116 HCT 116 C1158(0.42); C1165(0.42); C1129(0.66); C1337(0.70)  LDD0703  [13]
 LDCM0387  CL117 HCT 116 C1075(0.75); C765(0.91); C1129(1.04); C1158(1.08)  LDD0704  [13]
 LDCM0388  CL118 HCT 116 C1158(0.80); C1165(0.80); C1269(0.81); C1275(0.81)  LDD0705  [13]
 LDCM0389  CL119 HCT 116 C1129(0.84); C1075(0.84); C406(0.85); C765(0.92)  LDD0706  [13]
 LDCM0390  CL12 HCT 116 C1337(0.61); C559(0.89); C406(0.92); C88(0.94)  LDD0707  [13]
 LDCM0391  CL120 HCT 116 C1269(0.64); C1275(0.64); C1129(0.73); C1075(0.81)  LDD0708  [13]
 LDCM0392  CL121 HCT 116 C765(0.67); C559(0.82); C1075(0.82); C406(0.87)  LDD0709  [13]
 LDCM0393  CL122 HCT 116 C1075(0.89); C765(0.89); C779(0.96); C783(0.96)  LDD0710  [13]
 LDCM0394  CL123 HCT 116 C1075(0.71); C765(0.75); C779(0.80); C783(0.80)  LDD0711  [13]
 LDCM0395  CL124 HCT 116 C765(0.74); C779(0.76); C783(0.76); C1075(0.87)  LDD0712  [13]
 LDCM0396  CL125 HCT 116 C779(0.83); C783(0.83); C406(0.84); C1129(0.89)  LDD0713  [13]
 LDCM0397  CL126 HCT 116 C559(0.64); C1129(0.71); C1075(0.76); C765(0.76)  LDD0714  [13]
 LDCM0398  CL127 HCT 116 C559(0.55); C765(0.80); C779(0.84); C783(0.84)  LDD0715  [13]
 LDCM0399  CL128 HCT 116 C559(0.55); C765(0.64); C779(0.82); C783(0.82)  LDD0716  [13]
 LDCM0400  CL13 HCT 116 C1337(0.65); C88(0.89); C559(0.98); C1158(1.07)  LDD0717  [13]
 LDCM0401  CL14 HCT 116 C1337(0.73); C1129(0.86); C88(0.90); C406(0.90)  LDD0718  [13]
 LDCM0402  CL15 HCT 116 C1337(0.50); C559(0.83); C88(0.86); C765(0.94)  LDD0719  [13]
 LDCM0403  CL16 HCT 116 C1269(0.80); C1275(0.80); C1075(0.82); C765(0.90)  LDD0720  [13]
 LDCM0404  CL17 HCT 116 C1075(0.78); C559(0.85); C765(0.85); C406(0.89)  LDD0721  [13]
 LDCM0405  CL18 HCT 116 C406(0.87); C559(0.88); C765(1.03); C615(1.06)  LDD0722  [13]
 LDCM0406  CL19 HCT 116 C406(0.80); C765(0.83); C1158(0.83); C559(0.90)  LDD0723  [13]
 LDCM0407  CL2 HCT 116 C1337(0.58); C615(0.80); C88(0.95); C1129(0.96)  LDD0724  [13]
 LDCM0408  CL20 HCT 116 C765(0.63); C406(0.70); C1075(0.81); C559(0.81)  LDD0725  [13]
 LDCM0409  CL21 HCT 116 C765(0.68); C1269(0.74); C1275(0.74); C559(0.79)  LDD0726  [13]
 LDCM0410  CL22 HCT 116 C765(0.71); C1158(0.91); C406(0.93); C559(0.97)  LDD0727  [13]
 LDCM0411  CL23 HCT 116 C1158(0.78); C1075(0.82); C765(0.82); C1165(0.84)  LDD0728  [13]
 LDCM0412  CL24 HCT 116 C1269(0.83); C1275(0.83); C765(0.83); C406(0.88)  LDD0729  [13]
 LDCM0413  CL25 HCT 116 C1075(0.79); C1129(1.06); C1158(0.79); C1165(0.92)  LDD0730  [13]
 LDCM0414  CL26 HCT 116 C1075(0.84); C1129(1.01); C1158(0.79); C1165(1.00)  LDD0731  [13]
 LDCM0415  CL27 HCT 116 C1075(0.83); C1129(1.05); C1158(0.72); C1165(0.82)  LDD0732  [13]
 LDCM0416  CL28 HCT 116 C1075(0.79); C1129(1.06); C1158(0.85); C1165(1.02)  LDD0733  [13]
 LDCM0417  CL29 HCT 116 C1075(0.85); C1129(0.97); C1158(0.81); C1165(0.85)  LDD0734  [13]
 LDCM0418  CL3 HCT 116 C1075(0.88); C1129(0.85); C1158(1.05); C1165(0.94)  LDD0735  [13]
 LDCM0419  CL30 HCT 116 C1075(0.92); C1129(1.14); C1158(0.79); C1165(0.96)  LDD0736  [13]
 LDCM0420  CL31 HCT 116 C1075(0.70); C1129(1.10); C1158(1.36); C1165(1.36)  LDD0737  [13]
 LDCM0421  CL32 HCT 116 C1075(1.00); C1129(1.04); C1158(1.51); C1165(1.51)  LDD0738  [13]
 LDCM0422  CL33 HCT 116 C1075(0.69); C1129(1.34); C1158(0.75); C1165(0.75)  LDD0739  [13]
 LDCM0423  CL34 HCT 116 C1075(0.79); C1129(0.87); C1158(0.71); C1165(0.71)  LDD0740  [13]
 LDCM0424  CL35 HCT 116 C1075(0.78); C1129(0.99); C1158(0.94); C1165(0.94)  LDD0741  [13]
 LDCM0425  CL36 HCT 116 C1075(0.76); C1129(1.31); C1158(0.85); C1165(0.85)  LDD0742  [13]
 LDCM0426  CL37 HCT 116 C1075(0.82); C1129(1.01); C1158(1.45); C1165(1.45)  LDD0743  [13]
 LDCM0428  CL39 HCT 116 C1075(0.86); C1129(0.96); C1158(1.08); C1165(1.08)  LDD0745  [13]
 LDCM0429  CL4 HCT 116 C1075(0.76); C1129(0.84); C1158(1.07); C1165(0.95)  LDD0746  [13]
 LDCM0430  CL40 HCT 116 C1075(0.67); C1129(1.17); C1158(0.95); C1165(0.95)  LDD0747  [13]
 LDCM0431  CL41 HCT 116 C1075(0.75); C1129(0.84); C1158(1.86); C1165(1.86)  LDD0748  [13]
 LDCM0432  CL42 HCT 116 C1075(1.04); C1129(2.08); C1158(0.87); C1165(0.87)  LDD0749  [13]
 LDCM0433  CL43 HCT 116 C1075(0.84); C1129(1.41); C1158(0.88); C1165(0.88)  LDD0750  [13]
 LDCM0434  CL44 HCT 116 C1075(0.86); C1129(0.96); C1158(0.81); C1165(0.81)  LDD0751  [13]
 LDCM0435  CL45 HCT 116 C1075(0.92); C1129(1.25); C1158(1.37); C1165(1.37)  LDD0752  [13]
 LDCM0436  CL46 HCT 116 C1075(0.86); C1129(0.97); C1158(1.46); C1165(1.46)  LDD0753  [13]
 LDCM0437  CL47 HCT 116 C1075(0.95); C1129(0.96); C1158(1.53); C1165(1.53)  LDD0754  [13]
 LDCM0438  CL48 HCT 116 C1075(0.99); C1129(1.05); C1158(1.51); C1165(1.51)  LDD0755  [13]
 LDCM0439  CL49 HCT 116 C1075(1.28); C1129(0.88); C1158(1.49); C1165(1.49)  LDD0756  [13]
 LDCM0440  CL5 HCT 116 C1075(1.06); C1129(0.86); C1158(0.94); C1165(1.04)  LDD0757  [13]
 LDCM0441  CL50 HCT 116 C1075(1.05); C1129(1.03); C1158(1.19); C1165(1.19)  LDD0758  [13]
 LDCM0442  CL51 HCT 116 C1075(1.01); C1129(0.86); C1158(1.75); C1165(1.75)  LDD0759  [13]
 LDCM0443  CL52 HCT 116 C1075(0.84); C1129(0.84); C1158(1.16); C1165(1.16)  LDD0760  [13]
 LDCM0444  CL53 HCT 116 C1075(0.86); C1129(0.95); C1158(2.66); C1165(2.66)  LDD0761  [13]
 LDCM0445  CL54 HCT 116 C1075(0.85); C1129(0.96); C1158(1.34); C1165(1.34)  LDD0762  [13]
 LDCM0446  CL55 HCT 116 C1075(0.93); C1129(0.90); C1158(1.81); C1165(1.81)  LDD0763  [13]
 LDCM0447  CL56 HCT 116 C1075(0.91); C1129(0.90); C1158(1.09); C1165(1.09)  LDD0764  [13]
 LDCM0448  CL57 HCT 116 C1075(0.99); C1129(0.96); C1158(1.30); C1165(1.30)  LDD0765  [13]
 LDCM0449  CL58 HCT 116 C1075(0.98); C1129(0.96); C1158(1.88); C1165(1.88)  LDD0766  [13]
 LDCM0450  CL59 HCT 116 C1075(1.10); C1129(0.91); C1158(1.25); C1165(1.25)  LDD0767  [13]
 LDCM0451  CL6 HCT 116 C1075(1.09); C1129(0.98); C1158(1.15); C1165(1.05)  LDD0768  [13]
 LDCM0452  CL60 HCT 116 C1075(0.95); C1129(0.93); C1158(1.21); C1165(1.21)  LDD0769  [13]
 LDCM0453  CL61 HCT 116 C1075(0.79); C1129(0.92); C1158(0.61); C1165(0.61)  LDD0770  [13]
 LDCM0454  CL62 HCT 116 C1075(0.79); C1129(0.91); C1158(0.59); C1165(0.59)  LDD0771  [13]
 LDCM0455  CL63 HCT 116 C1075(0.79); C1129(0.78); C1158(0.47); C1165(0.47)  LDD0772  [13]
 LDCM0456  CL64 HCT 116 C1075(0.83); C1129(0.90); C1158(0.48); C1165(0.48)  LDD0773  [13]
 LDCM0457  CL65 HCT 116 C1075(0.87); C1129(0.95); C1158(0.56); C1165(0.56)  LDD0774  [13]
 LDCM0458  CL66 HCT 116 C1075(0.85); C1129(0.93); C1158(0.49); C1165(0.49)  LDD0775  [13]
 LDCM0459  CL67 HCT 116 C1075(0.78); C1129(0.84); C1158(0.56); C1165(0.56)  LDD0776  [13]
 LDCM0460  CL68 HCT 116 C1075(0.79); C1129(0.79); C1158(0.41); C1165(0.41)  LDD0777  [13]
 LDCM0461  CL69 HCT 116 C1075(0.87); C1129(1.28); C1158(0.98); C1165(0.98)  LDD0778  [13]
 LDCM0462  CL7 HCT 116 C1075(1.09); C1129(1.15); C1158(1.01); C1165(0.99)  LDD0779  [13]
 LDCM0463  CL70 HCT 116 C1075(0.85); C1129(1.11); C1158(0.67); C1165(0.67)  LDD0780  [13]
 LDCM0464  CL71 HCT 116 C1075(0.83); C1129(0.65); C1158(0.39); C1165(0.39)  LDD0781  [13]
 LDCM0465  CL72 HCT 116 C1075(0.85); C1129(0.78); C1158(0.54); C1165(0.54)  LDD0782  [13]
 LDCM0466  CL73 HCT 116 C1075(0.78); C1129(0.79); C1158(0.49); C1165(0.49)  LDD0783  [13]
 LDCM0467  CL74 HCT 116 C1075(0.76); C1129(0.86); C1158(0.52); C1165(0.52)  LDD0784  [13]
 LDCM0469  CL76 HCT 116 C1075(0.89); C1158(0.91); C1165(0.91); C1337(0.93)  LDD0786  [13]
 LDCM0470  CL77 HCT 116 C1075(0.89); C1158(0.90); C1165(0.90); C1337(0.91)  LDD0787  [13]
 LDCM0471  CL78 HCT 116 C1075(0.86); C1158(0.62); C1165(0.62); C1337(0.92)  LDD0788  [13]
 LDCM0472  CL79 HCT 116 C1075(0.78); C1158(0.60); C1165(0.60); C1337(0.85)  LDD0789  [13]
 LDCM0473  CL8 HCT 116 C1075(0.91); C1129(1.00); C1158(1.00); C1165(1.26)  LDD0790  [13]
 LDCM0474  CL80 HCT 116 C1075(1.07); C1158(1.62); C1165(1.62); C1337(1.25)  LDD0791  [13]
 LDCM0475  CL81 HCT 116 C1075(0.84); C1158(0.64); C1165(0.64); C1337(1.04)  LDD0792  [13]
 LDCM0476  CL82 HCT 116 C1075(0.93); C1158(0.67); C1165(0.67); C1337(0.90)  LDD0793  [13]
 LDCM0477  CL83 HCT 116 C1075(0.82); C1158(0.57); C1165(0.57); C1337(1.07)  LDD0794  [13]
 LDCM0478  CL84 HCT 116 C1075(0.98); C1158(0.69); C1165(0.69); C1337(0.95)  LDD0795  [13]
 LDCM0479  CL85 HCT 116 C1075(0.77); C1158(0.62); C1165(0.62); C1337(0.89)  LDD0796  [13]
 LDCM0480  CL86 HCT 116 C1075(0.88); C1158(0.74); C1165(0.74); C1337(0.84)  LDD0797  [13]
 LDCM0481  CL87 HCT 116 C1075(0.79); C1158(0.58); C1165(0.58); C1337(1.95)  LDD0798  [13]
 LDCM0482  CL88 HCT 116 C1075(0.91); C1158(0.60); C1165(0.60); C1337(1.08)  LDD0799  [13]
 LDCM0483  CL89 HCT 116 C1075(1.20); C1158(0.85); C1165(0.85); C1337(1.00)  LDD0800  [13]
 LDCM0484  CL9 HCT 116 C1075(1.02); C1129(1.02); C1158(1.13); C1165(1.08)  LDD0801  [13]
 LDCM0485  CL90 HCT 116 C1075(0.64); C1158(0.57); C1165(0.57); C1337(0.79)  LDD0802  [13]
 LDCM0486  CL91 HCT 116 C1075(0.85); C1158(0.51); C1165(0.51); C1269(0.92)  LDD0803  [13]
 LDCM0487  CL92 HCT 116 C1075(0.74); C1158(0.54); C1165(0.54); C1269(0.77)  LDD0804  [13]
 LDCM0488  CL93 HCT 116 C1075(0.92); C1158(0.58); C1165(0.58); C1269(0.86)  LDD0805  [13]
 LDCM0489  CL94 HCT 116 C1075(0.83); C1158(0.40); C1165(0.40); C1269(0.84)  LDD0806  [13]
 LDCM0490  CL95 HCT 116 C1075(0.74); C1158(0.41); C1165(0.41); C1269(0.74)  LDD0807  [13]
 LDCM0491  CL96 HCT 116 C1075(0.86); C1158(0.51); C1165(0.51); C1269(0.95)  LDD0808  [13]
 LDCM0492  CL97 HCT 116 C1075(0.82); C1158(0.50); C1165(0.50); C1269(0.93)  LDD0809  [13]
 LDCM0493  CL98 HCT 116 C1075(0.82); C1158(0.39); C1165(0.39); C1269(0.77)  LDD0810  [13]
 LDCM0494  CL99 HCT 116 C1075(0.96); C1158(0.51); C1165(0.51); C1269(0.82)  LDD0811  [13]
 LDCM0191  Compound 21 HEK-293T 7.46  LDD0508  [27]
 LDCM0190  Compound 34 HEK-293T 7.26  LDD0510  [27]
 LDCM0192  Compound 35 HEK-293T 4.37  LDD0509  [27]
 LDCM0193  Compound 36 HEK-293T 8.68  LDD0511  [27]
 LDCM0634  CY-0357 Hep-G2 C1337(2.22); C615(1.91); C765(1.10); C88(0.67)  LDD2228  [18]
 LDCM0495  E2913 HEK-293T C765(0.92); C1129(0.86); C559(1.01); C406(1.02)  LDD1698  [33]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C1098(20.55); C1337(8.06); C765(5.38); C406(3.50)  LDD1702  [7]
 LDCM0175  Ethacrynic acid HeLa C615(0.92)  LDD2210  [10]
 LDCM0625  F8 Ramos C1337(1.13); C559(0.77); C88(0.98); C1032(1.01)  LDD2187  [34]
 LDCM0572  Fragment10 Ramos C1117(0.94)  LDD1390  [35]
 LDCM0573  Fragment11 MDA-MB-231 C1117(1.24)  LDD1391  [35]
 LDCM0574  Fragment12 Ramos C1337(1.80); C559(0.86); C88(0.71); C1032(0.91)  LDD2191  [34]
 LDCM0575  Fragment13 Ramos C1337(0.99); C559(0.87); C88(0.92); C1032(1.90)  LDD2192  [34]
 LDCM0576  Fragment14 MDA-MB-231 C1117(0.93)  LDD1397  [35]
 LDCM0579  Fragment20 Ramos C1117(1.28)  LDD1403  [35]
 LDCM0580  Fragment21 Ramos C1117(2.10)  LDD1405  [35]
 LDCM0582  Fragment23 Ramos C1337(0.91); C559(1.18); C88(0.90); C1032(0.75)  LDD2196  [34]
 LDCM0578  Fragment27 MDA-MB-231 C1117(0.74)  LDD1413  [35]
 LDCM0586  Fragment28 Ramos C1337(0.94); C559(1.14); C88(0.84); C1032(1.33)  LDD2198  [34]
 LDCM0588  Fragment30 Ramos C1337(1.28); C559(0.96); C88(1.00); C1032(0.87)  LDD2199  [34]
 LDCM0589  Fragment31 MDA-MB-231 C1117(1.24)  LDD1421  [35]
 LDCM0590  Fragment32 Ramos C1337(1.17); C559(0.66); C88(0.64); C1032(0.73)  LDD2201  [34]
 LDCM0468  Fragment33 HCT 116 C1075(0.79); C1129(0.73); C1158(0.51); C1165(0.51)  LDD0785  [13]
 LDCM0596  Fragment38 Ramos C1337(1.02); C559(0.54); C88(0.69); C1032(0.83)  LDD2203  [34]
 LDCM0566  Fragment4 MDA-MB-231 C1117(1.05)  LDD1378  [35]
 LDCM0601  Fragment43 MDA-MB-231 C1117(0.71)  LDD1441  [35]
 LDCM0427  Fragment51 HCT 116 C1075(0.76); C1129(1.85); C1158(1.01); C1165(1.01)  LDD0744  [13]
 LDCM0610  Fragment52 Ramos C1337(1.12); C559(0.74); C88(0.91); C765(1.46)  LDD2204  [34]
 LDCM0614  Fragment56 Ramos C1337(1.48); C559(0.85); C88(1.05); C1032(1.27)  LDD2205  [34]
 LDCM0569  Fragment7 MDA-MB-231 C1117(1.08)  LDD1383  [35]
 LDCM0571  Fragment9 MDA-MB-231 C1117(0.95)  LDD1387  [35]
 LDCM0116  HHS-0101 DM93 Y166(0.37)  LDD0264  [11]
 LDCM0117  HHS-0201 DM93 Y166(0.54)  LDD0265  [11]
 LDCM0118  HHS-0301 DM93 Y166(0.75)  LDD0266  [11]
 LDCM0119  HHS-0401 DM93 Y166(0.41)  LDD0267  [11]
 LDCM0120  HHS-0701 DM93 Y166(0.59)  LDD0268  [11]
 LDCM0107  IAA HeLa C559(0.00); C1129(0.00); H130(0.00); H826(0.00)  LDD0221  [24]
 LDCM0022  KB02 HCT 116 C1269(3.83); C1275(3.83); C779(2.12); C783(2.12)  LDD0080  [13]
 LDCM0023  KB03 HCT 116 C1269(15.93); C1275(15.93); C779(5.98); C783(5.98)  LDD0081  [13]
 LDCM0024  KB05 HCT 116 C1269(18.31); C1275(18.31); C779(2.93); C783(2.93)  LDD0082  [13]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C765(1.09)  LDD2102  [7]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C765(0.77); C1032(0.72); C1337(0.68); C1241(0.68)  LDD2121  [7]
 LDCM0109  NEM HeLa H1351(0.00); H826(0.00); H130(0.00)  LDD0223  [24]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C765(0.75); C1337(0.42); C1241(0.68)  LDD2089  [7]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C765(1.06); C1241(1.16)  LDD2090  [7]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C765(0.95); C1032(0.82); C1241(0.77); C1098(1.22)  LDD2092  [7]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C765(1.04); C1032(1.26); C1241(0.59); C1075(1.25)  LDD2093  [7]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C765(1.00); C1098(1.14)  LDD2094  [7]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C765(0.45); C1241(0.26)  LDD2096  [7]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C765(0.91); C1241(0.74)  LDD2097  [7]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C765(0.83); C1032(1.19); C1241(0.73)  LDD2098  [7]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C765(0.92); C1032(1.01); C1241(0.95); C1098(0.56)  LDD2099  [7]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C765(0.86); C1032(0.92); C1241(0.77)  LDD2100  [7]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C1032(1.10)  LDD2101  [7]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C1032(0.85); C1241(0.64); C1098(0.77)  LDD2104  [7]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C765(1.22); C1032(1.80); C1241(1.32)  LDD2105  [7]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C765(0.59); C1032(0.45)  LDD2106  [7]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C765(1.00); C1032(0.97); C1241(0.80); C1075(1.08)  LDD2107  [7]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C765(0.76); C1032(0.85); C1241(0.58)  LDD2108  [7]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C765(0.71); C1032(0.79); C1337(0.82); C1075(1.14)  LDD2109  [7]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C765(1.04); C1032(1.34); C1241(1.01)  LDD2110  [7]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C765(0.96); C1032(1.02); C1337(0.93)  LDD2111  [7]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C1032(0.95)  LDD2114  [7]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C765(0.56)  LDD2115  [7]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C765(0.81)  LDD2118  [7]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C765(1.83); C1032(2.81); C1241(1.06)  LDD2119  [7]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C765(0.67); C1241(0.91)  LDD2120  [7]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C765(0.70)  LDD2122  [7]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C765(0.88); C1032(1.00); C1241(0.56); C1075(1.18)  LDD2123  [7]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C1241(0.40)  LDD2124  [7]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C765(0.72); C1032(0.85); C1241(0.61); C1075(1.19)  LDD2125  [7]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C765(1.26)  LDD2126  [7]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C765(0.95); C1032(0.99); C1241(0.76); C1098(0.65)  LDD2127  [7]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C765(0.57); C1241(0.83)  LDD2128  [7]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C765(1.05); C1032(1.34); C1337(1.02); C1241(0.95)  LDD2129  [7]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C1241(0.52)  LDD2133  [7]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C765(0.52)  LDD2134  [7]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C765(1.18); C1032(1.54); C1337(1.15); C1241(1.02)  LDD2135  [7]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C765(1.12); C1032(1.02); C1337(1.30); C1241(0.99)  LDD2136  [7]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C765(0.94); C1032(1.24); C1337(0.76); C1241(0.86)  LDD2137  [7]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C1075(2.17); C765(1.58); C1241(0.85)  LDD1700  [7]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C765(0.66); C1032(0.82); C1241(0.70)  LDD2140  [7]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C765(0.75); C1032(0.64); C1241(0.54)  LDD2141  [7]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C765(0.70); C1241(0.87)  LDD2143  [7]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C765(2.34); C1032(2.22); C1241(0.95)  LDD2144  [7]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C765(0.94); C1032(1.05); C1337(1.45); C1241(0.93)  LDD2146  [7]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C765(1.58); C1241(3.22)  LDD2147  [7]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C765(0.57); C1032(0.81)  LDD2148  [7]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C765(1.12)  LDD2149  [7]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C765(0.56); C1241(0.71); C1098(0.35)  LDD2150  [7]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C765(0.81)  LDD2151  [7]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C765(1.93); C1032(2.63)  LDD2153  [7]
 LDCM0627  NUDT7-COV-1 HEK-293T C579(0.38)  LDD2206  [36]
 LDCM0628  OTUB2-COV-1 HEK-293T C88(1.15); C1275(0.54); C615(0.24)  LDD2207  [36]
 LDCM0131  RA190 MM1.R C88(1.21)  LDD0304  [37]
 LDCM0096  SAHA K562 4.33  LDD0362  [30]
 LDCM0021  THZ1 HCT 116 C1269(1.39); C1275(1.39); C615(1.05); C88(1.03)  LDD2173  [13]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
DNA helicase MCM9 (MCM9) MCM family Q9NXL9
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
DNA mismatch repair protein Msh2 (MSH2) DNA mismatch repair MutS family P43246

References

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2 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
3 Small-Molecule Activity-Based Probe for Monitoring Ubiquitin C-Terminal Hydrolase L1 (UCHL1) Activity in Live Cells and Zebrafish Embryos. J Am Chem Soc. 2020 Sep 30;142(39):16825-16841. doi: 10.1021/jacs.0c07726. Epub 2020 Sep 18.
Mass spectrometry data entry: PXD021557 , PXD015828
4 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
5 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
6 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
7 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
8 An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
9 Chemoproteomic capture of RNA binding activity in living cells. Nat Commun. 2023 Oct 7;14(1):6282. doi: 10.1038/s41467-023-41844-z.
Mass spectrometry data entry: PXD044625
10 Chemoproteomic Profiling Reveals Ethacrynic Acid Targets Adenine Nucleotide Translocases to Impair Mitochondrial Function. Mol Pharm. 2018 Jun 4;15(6):2413-2422. doi: 10.1021/acs.molpharmaceut.8b00250. Epub 2018 May 15.
11 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
12 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
13 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
14 Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling. Nat Chem. 2024 Jun 4. doi: 10.1038/s41557-024-01545-6. Online ahead of print.
Mass spectrometry data entry: PXD042377
15 Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
16 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
17 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
18 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
19 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
20 Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
21 Site-Specific Activity-Based Protein Profiling Using Phosphonate Handles. Mol Cell Proteomics. 2023 Jan;22(1):100455. doi: 10.1016/j.mcpro.2022.100455. Epub 2022 Nov 24.
Mass spectrometry data entry: PXD036569
22 Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022.
Mass spectrometry data entry: PXD039931
23 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
24 ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
25 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
26 Chemoproteomic profiling of targets of lipid-derived electrophiles by bioorthogonal aminooxy probe. Redox Biol. 2017 Aug;12:712-718. doi: 10.1016/j.redox.2017.04.001. Epub 2017 Apr 5.
27 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
28 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
29 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
30 Streamlined Target Deconvolution Approach Utilizing a Single Photoreactive Chloroalkane Capture Tag. ACS Chem Biol. 2021 Feb 19;16(2):404-413. doi: 10.1021/acschembio.0c00987. Epub 2021 Feb 5.
31 Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
32 Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12(10):2671-2681. doi: 10.1021/acschembio.7b00581. Epub 2017 Sep 20.
Mass spectrometry data entry: PXD007570
33 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
34 Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7.
Mass spectrometry data entry: PXD027578
35 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.
36 Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22.
37 Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.