Details of the Target

General Information of Target

Target ID LDTP02642
Target Name X-ray repair cross-complementing protein 5 (XRCC5)
Gene Name XRCC5
Gene ID 7520
Synonyms
G22P2; X-ray repair cross-complementing protein 5; EC 3.6.4.-; 86 kDa subunit of Ku antigen; ATP-dependent DNA helicase 2 subunit 2; ATP-dependent DNA helicase II 80 kDa subunit; CTC box-binding factor 85 kDa subunit; CTC85; CTCBF; DNA repair protein XRCC5; Ku80; Ku86; Lupus Ku autoantigen protein p86; Nuclear factor IV; Thyroid-lupus autoantigen; TLAA; X-ray repair complementing defective repair in Chinese hamster cells 5; double-strand-break rejoining)
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MVRSGNKAAVVLCMDVGFTMSNSIPGIESPFEQAKKVITMFVQRQVFAENKDEIALVLFG
TDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDIESKIQPGSQQADFLDALIVSMDVIQH
ETIGKKFEKRHIEIFTDLSSRFSKSQLDIIIHSLKKCDISLQFFLPFSLGKEDGSGDRGD
GPFRLGGHGPSFPLKGITEQQKEGLEIVKMVMISLEGEDGLDEIYSFSESLRKLCVFKKI
ERHSIHWPCRLTIGSNLSIRIAAYKSILQERVKKTWTVVDAKTLKKEDIQKETVYCLNDD
DETEVLKEDIIQGFRYGSDIVPFSKVDEEQMKYKSEGKCFSVLGFCKSSQVQRRFFMGNQ
VLKVFAARDDEAAAVALSSLIHALDDLDMVAIVRYAYDKRANPQVGVAFPHIKHNYECLV
YVQLPFMEDLRQYMFSSLKNSKKYAPTEAQLNAVDALIDSMSLAKKDEKTDTLEDLFPTT
KIPNPRFQRLFQCLLHRALHPREPLPPIQQHIWNMLNPPAEVTTKSQIPLSKIKTLFPLI
EAKKKDQVTAQEIFQDNHEDGPTAKKLKTEQGGAHFSVSSLAEGSVTSVGSVNPAENFRV
LVKQKKASFEEASNQLINHIEQFLDTNETPYFMKSIDCIRAFREEAIKFSEEQRFNNFLK
ALQEKVEIKQLNHFWEIVVQDGITLITKEEASGSSVTAEEAKKFLAPKDKPSGDTAAVFE
EGGDVDDLLDMI
Target Type
Literature-reported
Target Bioclass
Enzyme
Family
Ku80 family
Subcellular location
Nucleus
Function
Single-stranded DNA-dependent ATP-dependent helicase that plays a key role in DNA non-homologous end joining (NHEJ) by recruiting DNA-PK to DNA. Required for double-strand break repair and V(D)J recombination. Also has a role in chromosome translocation. The DNA helicase II complex binds preferentially to fork-like ends of double-stranded DNA in a cell cycle-dependent manner. It works in the 3'-5' direction. During NHEJ, the XRCC5-XRRC6 dimer performs the recognition step: it recognizes and binds to the broken ends of the DNA and protects them from further resection. Binding to DNA may be mediated by XRCC6. The XRCC5-XRRC6 dimer acts as a regulatory subunit of the DNA-dependent protein kinase complex DNA-PK by increasing the affinity of the catalytic subunit PRKDC to DNA by 100-fold. The XRCC5-XRRC6 dimer is probably involved in stabilizing broken DNA ends and bringing them together. The assembly of the DNA-PK complex to DNA ends is required for the NHEJ ligation step. The XRCC5-XRRC6 dimer probably also acts as a 5'-deoxyribose-5-phosphate lyase (5'-dRP lyase), by catalyzing the beta-elimination of the 5' deoxyribose-5-phosphate at an abasic site near double-strand breaks. XRCC5 probably acts as the catalytic subunit of 5'-dRP activity, and allows to 'clean' the termini of abasic sites, a class of nucleotide damage commonly associated with strand breaks, before such broken ends can be joined. The XRCC5-XRRC6 dimer together with APEX1 acts as a negative regulator of transcription. In association with NAA15, the XRCC5-XRRC6 dimer binds to the osteocalcin promoter and activates osteocalcin expression. As part of the DNA-PK complex, involved in the early steps of ribosome assembly by promoting the processing of precursor rRNA into mature 18S rRNA in the small-subunit processome. Binding to U3 small nucleolar RNA, recruits PRKDC and XRCC5/Ku86 to the small-subunit processome. Plays a role in the regulation of DNA virus-mediated innate immune response by assembling into the HDP-RNP complex, a complex that serves as a platform for IRF3 phosphorylation and subsequent innate immune response activation through the cGAS-STING pathway.
TTD ID
T53562
Uniprot ID
P13010
DrugMap ID
TTCB9KW
Ensemble ID
ENST00000392132.7
HGNC ID
HGNC:12833
ChEMBL ID
CHEMBL4106136

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 46 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		7.42  LDD0402  [1]
A-EBA
 Probe Info  		3.69  LDD0215  [2]
CHEMBL5175495
 Probe Info  		6.60  LDD0196  [3]
CY-1
 Probe Info  		100.00  LDD0243  [4]
CY4
 Probe Info  		100.00  LDD0244  [4]
N1
 Probe Info  		100.00  LDD0242  [4]
TH211
 Probe Info  		Y295(20.00); Y316(20.00); Y333(15.42); Y444(12.03)  LDD0260  [5]
TH214
 Probe Info  		Y316(20.00)  LDD0258  [5]
YN-4
 Probe Info  		100.00  LDD0445  [6]
ONAyne
 Probe Info  		N.A.  LDD0273  [7]
OPA-S-S-alkyne
 Probe Info  		K481(1.45); K648(1.90); K36(2.42); K265(3.42)  LDD3494  [8]
Probe 1
 Probe Info  		Y295(13.97); Y316(49.71); Y397(81.25); Y433(28.59)  LDD3495  [9]
BTD
 Probe Info  		C235(1.95)  LDD1700  [10]
AHL-Pu-1
 Probe Info  		C493(2.64); C346(2.15)  LDD0168  [11]
HHS-475
 Probe Info  		Y397(0.84); Y264(0.93); Y631(1.11); Y295(1.63)  LDD0264  [12]
HHS-465
 Probe Info  		Y397(10.00)  LDD2237  [13]
DBIA
 Probe Info  		C339(0.87); C493(0.86); C346(0.85)  LDD0078  [14]
5E-2FA
 Probe Info  		H511(0.00); H558(0.00); H152(0.00); H575(0.00)  LDD2235  [15]
ATP probe
 Probe Info  		K481(0.00); K195(0.00); K265(0.00); K202(0.00)  LDD0199  [16]
4-Iodoacetamidophenylacetylene
 Probe Info  		C157(0.00); C339(0.00); C346(0.00); C296(0.00)  LDD0038  [17]
IA-alkyne
 Probe Info  		C249(0.00); C296(0.00)  LDD0032  [18]
IPIAA_H
 Probe Info  		C638(0.00); C296(0.00); C157(0.00)  LDD0030  [19]
IPIAA_L
 Probe Info  		C296(0.00); C638(0.00); C157(0.00); C339(0.00)  LDD0031  [19]
Lodoacetamide azide
 Probe Info  		C157(0.00); C339(0.00); C346(0.00); C296(0.00)  LDD0037  [17]
ATP probe
 Probe Info  		K534(0.00); K443(0.00)  LDD0035  [20]
TFBX
 Probe Info  		N.A.  LDD0027  [21]
Compound 10
 Probe Info  		C339(0.00); C493(0.00)  LDD2216  [22]
Compound 11
 Probe Info  		C339(0.00); C493(0.00)  LDD2213  [22]
ENE
 Probe Info  		N.A.  LDD0006  [23]
IPM
 Probe Info  		C493(0.00); C638(0.00); C235(0.00)  LDD0005  [23]
NHS
 Probe Info  		K660(0.00); K566(0.00); K195(0.00); K534(0.00)  LDD0010  [23]
PF-06672131
 Probe Info  		N.A.  LDD0152  [24]
SF
 Probe Info  		K532(0.00); K195(0.00); K534(0.00)  LDD0028  [25]
STPyne
 Probe Info  		K534(0.00); K565(0.00)  LDD0009  [23]
Phosphinate-6
 Probe Info  		C235(0.00); C339(0.00); C493(0.00)  LDD0018  [26]
Ox-W18
 Probe Info  		W276(0.00); W675(0.00)  LDD2175  [27]
1c-yne
 Probe Info  		K545(0.00); K465(0.00); K156(0.00); K606(0.00)  LDD0228  [28]
1d-yne
 Probe Info  		K443(0.00); K469(0.00); K465(0.00)  LDD0357  [28]
Acrolein
 Probe Info  		C296(0.00); H558(0.00); H575(0.00); H411(0.00)  LDD0217  [29]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [29]
Crotonaldehyde
 Probe Info  		H411(0.00); H131(0.00); C493(0.00); C638(0.00)  LDD0219  [29]
Methacrolein
 Probe Info  		C296(0.00); C493(0.00); C249(0.00); C638(0.00)  LDD0218  [29]
W1
 Probe Info  		C493(0.00); C296(0.00); C249(0.00); C346(0.00)  LDD0236  [30]
AOyne
 Probe Info  		4.50  LDD0443  [31]
NAIA_5
 Probe Info  		C346(0.00); C339(0.00); C493(0.00); C249(0.00)  LDD2223  [32]
HHS-482
 Probe Info  		Y631(0.82)  LDD2239  [13]
PAL-AfBPP Probe
Click To Hide/Show 7 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info  		8.07  LDD0475  [33]
FFF probe3
 Probe Info  		6.89  LDD0464  [33]
JN0003
 Probe Info  		13.36  LDD0469  [33]
STS-1
 Probe Info  		4.00  LDD0136  [34]
STS-2
 Probe Info  		4.50  LDD0138  [34]
VE-P
 Probe Info  		N.A.  LDD0396  [35]
DA-2
 Probe Info  		N.A.  LDD0071  [36]

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 C493(0.46); C235(0.68)  LDD2142  [10]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C493(0.46); C235(0.84)  LDD2112  [10]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C235(0.94)  LDD2130  [10]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C493(1.11)  LDD2117  [10]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C493(1.30)  LDD2152  [10]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C493(1.29)  LDD2103  [10]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C493(0.79); C235(0.69)  LDD2131  [10]
 LDCM0025  4SU-RNA HEK-293T C493(2.64); C346(2.15)  LDD0168  [11]
 LDCM0026  4SU-RNA+native RNA HEK-293T C346(2.10); C296(3.23); C249(2.26); C157(2.46)  LDD0169  [11]
 LDCM0561  Abegg_cp(-)-10 HeLa C249(0.00)  LDD0312  [21]
 LDCM0214  AC1 HCT 116 C157(1.27); C249(1.41); C296(1.48); C339(1.22)  LDD0531  [14]
 LDCM0215  AC10 HCT 116 C157(1.06); C249(1.12); C296(1.08); C339(0.87)  LDD0532  [14]
 LDCM0216  AC100 HCT 116 C249(0.97); C296(1.10); C339(0.68); C346(0.79)  LDD0533  [14]
 LDCM0217  AC101 HCT 116 C249(0.78); C296(0.78); C339(0.65); C346(0.80)  LDD0534  [14]
 LDCM0218  AC102 HCT 116 C249(0.94); C296(1.03); C339(0.69); C346(0.72)  LDD0535  [14]
 LDCM0219  AC103 HCT 116 C249(0.91); C296(0.82); C339(0.53); C346(0.63)  LDD0536  [14]
 LDCM0220  AC104 HCT 116 C249(1.09); C296(0.74); C339(0.65); C346(0.66)  LDD0537  [14]
 LDCM0221  AC105 HCT 116 C249(0.79); C296(0.86); C339(0.65); C346(0.65)  LDD0538  [14]
 LDCM0222  AC106 HCT 116 C249(0.92); C296(0.86); C339(0.55); C346(0.62)  LDD0539  [14]
 LDCM0223  AC107 HCT 116 C249(0.89); C296(0.77); C339(0.53); C346(0.96)  LDD0540  [14]
 LDCM0224  AC108 HCT 116 C249(0.91); C296(2.69); C339(0.66); C346(0.76)  LDD0541  [14]
 LDCM0225  AC109 HCT 116 C249(1.05); C296(1.03); C339(0.71); C346(0.79)  LDD0542  [14]
 LDCM0226  AC11 HCT 116 C157(1.45); C249(1.08); C296(1.21); C339(0.99)  LDD0543  [14]
 LDCM0227  AC110 HCT 116 C249(0.88); C296(0.98); C339(0.67); C346(0.74)  LDD0544  [14]
 LDCM0228  AC111 HCT 116 C249(0.81); C296(0.87); C339(0.65); C346(0.75)  LDD0545  [14]
 LDCM0229  AC112 HCT 116 C249(0.77); C296(0.59); C339(0.53); C346(0.77)  LDD0546  [14]
 LDCM0230  AC113 HCT 116 C249(0.96); C296(0.76); C339(1.02); C346(1.07)  LDD0547  [14]
 LDCM0231  AC114 HCT 116 C249(0.88); C296(0.69); C339(0.98); C346(0.95)  LDD0548  [14]
 LDCM0232  AC115 HCT 116 C249(1.09); C296(0.64); C339(0.95); C346(0.88)  LDD0549  [14]
 LDCM0233  AC116 HCT 116 C249(1.00); C296(0.68); C339(0.91); C346(0.87)  LDD0550  [14]
 LDCM0234  AC117 HCT 116 C249(0.99); C296(0.75); C339(0.94); C346(0.88)  LDD0551  [14]
 LDCM0235  AC118 HCT 116 C249(1.14); C296(0.74); C339(1.03); C346(0.96)  LDD0552  [14]
 LDCM0236  AC119 HCT 116 C249(0.93); C296(0.74); C339(0.89); C346(0.88)  LDD0553  [14]
 LDCM0237  AC12 HCT 116 C157(1.23); C249(1.09); C296(1.32); C339(1.10)  LDD0554  [14]
 LDCM0238  AC120 HCT 116 C249(0.94); C296(0.66); C339(1.05); C346(1.07)  LDD0555  [14]
 LDCM0239  AC121 HCT 116 C249(1.11); C296(0.86); C339(1.06); C346(1.05)  LDD0556  [14]
 LDCM0240  AC122 HCT 116 C249(1.03); C296(0.82); C339(0.88); C346(0.92)  LDD0557  [14]
 LDCM0241  AC123 HCT 116 C249(1.03); C296(0.83); C339(1.28); C346(1.36)  LDD0558  [14]
 LDCM0242  AC124 HCT 116 C249(0.93); C296(0.77); C339(1.09); C346(1.01)  LDD0559  [14]
 LDCM0243  AC125 HCT 116 C249(1.10); C296(0.87); C339(0.97); C346(0.94)  LDD0560  [14]
 LDCM0244  AC126 HCT 116 C249(1.10); C296(0.72); C339(0.89); C346(0.83)  LDD0561  [14]
 LDCM0245  AC127 HCT 116 C249(1.00); C296(0.81); C339(0.91); C346(0.85)  LDD0562  [14]
 LDCM0246  AC128 HCT 116 C249(1.60); C296(1.16); C339(1.46); C346(1.41)  LDD0563  [14]
 LDCM0247  AC129 HCT 116 C249(1.03); C296(1.31); C339(1.51); C346(1.48)  LDD0564  [14]
 LDCM0249  AC130 HCT 116 C249(1.07); C296(1.12); C339(1.38); C346(1.34)  LDD0566  [14]
 LDCM0250  AC131 HCT 116 C249(1.17); C296(1.16); C339(1.27); C346(1.22)  LDD0567  [14]
 LDCM0251  AC132 HCT 116 C249(0.98); C296(1.22); C339(1.32); C346(1.15)  LDD0568  [14]
 LDCM0252  AC133 HCT 116 C249(1.42); C296(1.12); C339(1.52); C346(1.36)  LDD0569  [14]
 LDCM0253  AC134 HCT 116 C249(1.22); C296(0.98); C339(1.22); C346(1.15)  LDD0570  [14]
 LDCM0254  AC135 HCT 116 C249(1.06); C296(1.12); C339(1.25); C346(1.16)  LDD0571  [14]
 LDCM0255  AC136 HCT 116 C249(1.01); C296(1.05); C339(1.18); C346(1.17)  LDD0572  [14]
 LDCM0256  AC137 HCT 116 C249(1.12); C296(1.03); C339(1.07); C346(1.06)  LDD0573  [14]
 LDCM0257  AC138 HCT 116 C249(1.16); C296(0.98); C339(1.15); C346(1.10)  LDD0574  [14]
 LDCM0258  AC139 HCT 116 C249(1.20); C296(1.05); C339(1.07); C346(0.98)  LDD0575  [14]
 LDCM0259  AC14 HCT 116 C157(1.06); C249(1.10); C296(1.17); C339(1.12)  LDD0576  [14]
 LDCM0260  AC140 HCT 116 C249(1.07); C296(1.03); C339(1.10); C346(0.96)  LDD0577  [14]
 LDCM0261  AC141 HCT 116 C249(0.99); C296(1.02); C339(1.14); C346(0.98)  LDD0578  [14]
 LDCM0262  AC142 HCT 116 C249(1.29); C296(1.33); C339(1.36); C346(1.20)  LDD0579  [14]
 LDCM0263  AC143 HCT 116 C296(0.96); C339(0.96); C346(1.01); C493(1.03)  LDD0580  [14]
 LDCM0264  AC144 HCT 116 C296(0.79); C339(0.89); C346(0.94); C493(1.24)  LDD0581  [14]
 LDCM0265  AC145 HCT 116 C296(0.82); C346(1.01); C339(1.02); C493(1.43)  LDD0582  [14]
 LDCM0266  AC146 HCT 116 C296(0.81); C346(1.04); C339(1.05); C493(1.16)  LDD0583  [14]
 LDCM0267  AC147 HCT 116 C296(0.70); C346(0.89); C339(0.92); C493(1.25)  LDD0584  [14]
 LDCM0268  AC148 HCT 116 C296(0.82); C339(0.95); C346(1.00); C493(1.16)  LDD0585  [14]
 LDCM0269  AC149 HCT 116 C296(0.65); C493(0.79); C346(0.88); C339(0.88)  LDD0586  [14]
 LDCM0270  AC15 HCT 116 C339(0.89); C296(0.93); C346(1.00); C493(1.06)  LDD0587  [14]
 LDCM0271  AC150 HCT 116 C296(0.67); C346(1.03); C493(1.10); C339(1.11)  LDD0588  [14]
 LDCM0272  AC151 HCT 116 C296(0.77); C493(0.87); C346(0.89); C339(0.95)  LDD0589  [14]
 LDCM0273  AC152 HCT 116 C296(0.68); C346(1.03); C339(1.06); C493(1.22)  LDD0590  [14]
 LDCM0274  AC153 HCT 116 C296(0.71); C346(0.89); C339(0.91); C493(0.91)  LDD0591  [14]
 LDCM0621  AC154 HCT 116 C296(0.94); C339(0.95); C346(0.95); C493(1.17)  LDD2158  [14]
 LDCM0622  AC155 HCT 116 C296(0.97); C339(0.88); C346(0.86); C493(0.98)  LDD2159  [14]
 LDCM0623  AC156 HCT 116 C296(0.78); C339(1.03); C346(0.96); C493(0.99)  LDD2160  [14]
 LDCM0624  AC157 HCT 116 C296(0.81); C339(0.99); C346(0.97); C493(1.13)  LDD2161  [14]
 LDCM0276  AC17 HCT 116 C296(1.05); C339(1.10); C346(1.18); C493(1.20)  LDD0593  [14]
 LDCM0277  AC18 HCT 116 C296(0.84); C249(0.91); C346(1.03); C339(1.04)  LDD0594  [14]
 LDCM0278  AC19 HCT 116 C296(0.99); C346(1.11); C339(1.14); C493(1.16)  LDD0595  [14]
 LDCM0279  AC2 HCT 116 C157(0.81); C493(0.99); C339(1.04); C346(1.08)  LDD0596  [14]
 LDCM0280  AC20 HCT 116 C339(0.94); C296(0.96); C346(0.97); C249(1.11)  LDD0597  [14]
 LDCM0281  AC21 HCT 116 C296(0.90); C346(0.95); C339(0.97); C249(1.09)  LDD0598  [14]
 LDCM0282  AC22 HCT 116 C339(1.02); C346(1.05); C249(1.05); C493(1.07)  LDD0599  [14]
 LDCM0283  AC23 HCT 116 C339(0.98); C249(1.01); C346(1.03); C296(1.04)  LDD0600  [14]
 LDCM0284  AC24 HCT 116 C296(0.98); C339(1.09); C346(1.12); C493(1.27)  LDD0601  [14]
 LDCM0285  AC25 HCT 116 C249(0.85); C493(0.89); C346(0.90); C296(0.95)  LDD0602  [14]
 LDCM0286  AC26 HCT 116 C493(0.66); C249(0.72); C296(0.83); C346(0.85)  LDD0603  [14]
 LDCM0287  AC27 HCT 116 C346(0.68); C339(0.71); C493(0.75); C249(0.80)  LDD0604  [14]
 LDCM0288  AC28 HCT 116 C346(0.72); C339(0.72); C296(0.78); C493(0.80)  LDD0605  [14]
 LDCM0289  AC29 HCT 116 C493(0.50); C296(0.80); C249(0.82); C346(0.84)  LDD0606  [14]
 LDCM0290  AC3 HCT 116 C339(1.07); C157(1.08); C346(1.10); C493(1.12)  LDD0607  [14]
 LDCM0291  AC30 HCT 116 C493(0.52); C249(0.61); C296(0.71); C346(0.77)  LDD0608  [14]
 LDCM0292  AC31 HCT 116 C493(0.85); C339(0.88); C346(0.88); C296(0.97)  LDD0609  [14]
 LDCM0293  AC32 HCT 116 C493(0.58); C339(0.63); C296(0.67); C346(0.68)  LDD0610  [14]
 LDCM0294  AC33 HCT 116 C493(0.65); C296(0.67); C339(0.68); C346(0.69)  LDD0611  [14]
 LDCM0295  AC34 HCT 116 C249(0.63); C296(0.64); C493(0.65); C346(0.66)  LDD0612  [14]
 LDCM0296  AC35 HCT 116 C249(0.83); C339(1.09); C493(1.10); C346(1.12)  LDD0613  [14]
 LDCM0297  AC36 HCT 116 C493(0.82); C296(1.04); C249(1.08); C346(1.21)  LDD0614  [14]
 LDCM0298  AC37 HCT 116 C249(1.05); C493(1.11); C346(1.25); C296(1.28)  LDD0615  [14]
 LDCM0299  AC38 HCT 116 C493(0.78); C249(0.93); C296(0.97); C346(1.01)  LDD0616  [14]
 LDCM0300  AC39 HCT 116 C339(0.87); C346(0.89); C493(0.96); C296(1.01)  LDD0617  [14]
 LDCM0301  AC4 HCT 116 C339(1.17); C493(1.17); C346(1.25); C157(1.42)  LDD0618  [14]
 LDCM0302  AC40 HCT 116 C493(0.88); C296(0.95); C249(0.97); C346(1.00)  LDD0619  [14]
 LDCM0303  AC41 HCT 116 C493(0.77); C249(0.87); C296(0.91); C339(1.36)  LDD0620  [14]
 LDCM0304  AC42 HCT 116 C493(0.75); C296(0.82); C249(0.85); C346(0.96)  LDD0621  [14]
 LDCM0305  AC43 HCT 116 C493(0.62); C249(0.95); C296(0.96); C346(1.03)  LDD0622  [14]
 LDCM0306  AC44 HCT 116 C249(0.83); C296(0.95); C493(1.03); C346(1.28)  LDD0623  [14]
 LDCM0307  AC45 HCT 116 C249(0.94); C296(0.98); C493(1.05); C346(1.23)  LDD0624  [14]
 LDCM0308  AC46 HCT 116 C493(0.59); C346(0.94); C339(0.94); C296(0.98)  LDD0625  [14]
 LDCM0309  AC47 HCT 116 C493(0.80); C346(0.88); C339(0.88); C249(0.94)  LDD0626  [14]
 LDCM0310  AC48 HCT 116 C493(0.74); C346(0.87); C339(0.91); C249(1.31)  LDD0627  [14]
 LDCM0311  AC49 HCT 116 C493(0.64); C346(0.78); C339(0.80); C296(0.89)  LDD0628  [14]
 LDCM0312  AC5 HCT 116 C339(1.04); C493(1.07); C346(1.11); C157(1.25)  LDD0629  [14]
 LDCM0313  AC50 HCT 116 C493(0.78); C346(0.84); C339(0.91); C296(0.93)  LDD0630  [14]
 LDCM0314  AC51 HCT 116 C493(0.76); C346(0.92); C339(0.95); C249(1.22)  LDD0631  [14]
 LDCM0315  AC52 HCT 116 C493(0.76); C346(0.88); C339(0.89); C296(1.01)  LDD0632  [14]
 LDCM0316  AC53 HCT 116 C493(0.82); C346(0.84); C296(0.90); C339(0.90)  LDD0633  [14]
 LDCM0317  AC54 HCT 116 C249(0.81); C296(0.93); C493(0.98); C346(1.28)  LDD0634  [14]
 LDCM0318  AC55 HCT 116 C346(0.87); C296(0.92); C339(0.93); C493(0.94)  LDD0635  [14]
 LDCM0319  AC56 HCT 116 C493(0.64); C346(0.80); C296(0.87); C339(0.88)  LDD0636  [14]
 LDCM0320  AC57 HCT 116 C339(0.65); C296(0.78); C346(0.81); C493(0.89)  LDD0637  [14]
 LDCM0321  AC58 HCT 116 C339(0.73); C346(0.81); C493(0.88); C249(0.89)  LDD0638  [14]
 LDCM0322  AC59 HCT 116 C339(0.58); C346(0.73); C493(0.83); C296(0.86)  LDD0639  [14]
 LDCM0323  AC6 HCT 116 C296(0.72); C339(0.79); C346(0.85); C493(0.89)  LDD0640  [14]
 LDCM0324  AC60 HCT 116 C339(0.60); C346(0.80); C493(0.83); C296(0.95)  LDD0641  [14]
 LDCM0325  AC61 HCT 116 C296(0.82); C339(0.90); C493(0.97); C249(1.03)  LDD0642  [14]
 LDCM0326  AC62 HCT 116 C339(0.65); C346(0.85); C493(0.85); C249(0.86)  LDD0643  [14]
 LDCM0327  AC63 HCT 116 C339(0.64); C346(0.83); C249(0.91); C493(0.95)  LDD0644  [14]
 LDCM0328  AC64 HCT 116 C339(0.50); C346(0.70); C249(0.80); C493(0.84)  LDD0645  [14]
 LDCM0329  AC65 HCT 116 C339(0.52); C346(0.68); C493(0.79); C296(0.79)  LDD0646  [14]
 LDCM0330  AC66 HCT 116 C339(0.76); C346(0.83); C493(0.87); C296(0.90)  LDD0647  [14]
 LDCM0331  AC67 HCT 116 C339(0.39); C346(0.57); C493(0.72); C296(0.78)  LDD0648  [14]
 LDCM0332  AC68 HCT 116 C339(0.89); C296(0.91); C493(0.93); C346(0.94)  LDD0649  [14]
 LDCM0333  AC69 HCT 116 C296(0.91); C339(0.97); C493(1.06); C346(1.07)  LDD0650  [14]
 LDCM0334  AC7 HCT 116 C296(0.94); C339(0.99); C493(1.01); C346(1.03)  LDD0651  [14]
 LDCM0335  AC70 HCT 116 C339(0.73); C296(0.77); C346(0.85); C493(0.87)  LDD0652  [14]
 LDCM0336  AC71 HCT 116 C296(1.05); C339(1.06); C346(1.18); C493(1.24)  LDD0653  [14]
 LDCM0337  AC72 HCT 116 C339(0.79); C296(0.87); C493(0.94); C346(0.96)  LDD0654  [14]
 LDCM0338  AC73 HCT 116 C339(0.81); C296(0.88); C346(0.89); C493(0.92)  LDD0655  [14]
 LDCM0339  AC74 HCT 116 C296(0.92); C493(1.01); C339(1.05); C249(1.22)  LDD0656  [14]
 LDCM0340  AC75 HCT 116 C339(0.86); C296(0.89); C493(0.93); C346(0.95)  LDD0657  [14]
 LDCM0341  AC76 HCT 116 C493(0.98); C296(0.99); C339(1.02); C346(1.02)  LDD0658  [14]
 LDCM0342  AC77 HCT 116 C339(0.82); C296(0.84); C346(0.92); C493(0.93)  LDD0659  [14]
 LDCM0343  AC78 HCT 116 C339(1.00); C296(1.08); C493(1.14); C346(1.19)  LDD0660  [14]
 LDCM0344  AC79 HCT 116 C339(0.81); C296(0.91); C346(0.97); C493(1.00)  LDD0661  [14]
 LDCM0345  AC8 HCT 116 C296(0.77); C339(0.84); C346(0.87); C249(0.88)  LDD0662  [14]
 LDCM0346  AC80 HCT 116 C296(0.90); C493(0.96); C346(1.05); C249(1.12)  LDD0663  [14]
 LDCM0347  AC81 HCT 116 C249(0.95); C296(1.00); C339(1.08); C346(1.30)  LDD0664  [14]
 LDCM0348  AC82 HCT 116 C493(0.90); C296(0.93); C249(0.95); C346(1.04)  LDD0665  [14]
 LDCM0349  AC83 HCT 116 C296(0.59); C339(0.67); C346(0.77); C493(0.78)  LDD0666  [14]
 LDCM0350  AC84 HCT 116 C296(0.56); C249(0.90); C493(0.94); C339(1.12)  LDD0667  [14]
 LDCM0351  AC85 HCT 116 C296(0.65); C339(0.73); C346(0.79); C249(0.89)  LDD0668  [14]
 LDCM0352  AC86 HCT 116 C296(0.62); C339(0.73); C346(0.78); C249(0.79)  LDD0669  [14]
 LDCM0353  AC87 HCT 116 C296(0.69); C249(0.86); C346(0.90); C339(0.91)  LDD0670  [14]
 LDCM0354  AC88 HCT 116 C296(0.60); C346(0.77); C339(0.78); C249(0.83)  LDD0671  [14]
 LDCM0355  AC89 HCT 116 C296(0.58); C346(0.61); C339(0.63); C249(0.71)  LDD0672  [14]
 LDCM0357  AC90 HCT 116 C346(0.67); C339(0.70); C249(0.75); C296(0.81)  LDD0674  [14]
 LDCM0358  AC91 HCT 116 C296(0.63); C339(0.67); C346(0.72); C493(0.82)  LDD0675  [14]
 LDCM0359  AC92 HCT 116 C339(0.55); C346(0.58); C296(0.59); C249(0.67)  LDD0676  [14]
 LDCM0360  AC93 HCT 116 C296(0.56); C339(0.69); C346(0.69); C249(0.81)  LDD0677  [14]
 LDCM0361  AC94 HCT 116 C339(0.80); C346(0.87); C296(0.89); C249(1.09)  LDD0678  [14]
 LDCM0362  AC95 HCT 116 C296(0.73); C249(0.85); C339(1.12); C346(1.15)  LDD0679  [14]
 LDCM0363  AC96 HCT 116 C346(0.84); C339(0.86); C296(0.89); C249(1.02)  LDD0680  [14]
 LDCM0364  AC97 HCT 116 C296(0.50); C339(0.52); C346(0.55); C493(0.64)  LDD0681  [14]
 LDCM0365  AC98 HCT 116 C346(0.50); C339(0.51); C296(0.59); C493(0.66)  LDD0682  [14]
 LDCM0366  AC99 HCT 116 C339(0.74); C346(0.80); C296(0.85); C493(0.86)  LDD0683  [14]
 LDCM0520  AKOS000195272 MDA-MB-231 C339(0.86)  LDD2113  [10]
 LDCM0248  AKOS034007472 HCT 116 C157(0.87); C249(1.29); C296(1.00); C339(0.96)  LDD0565  [14]
 LDCM0356  AKOS034007680 HCT 116 C346(1.01); C493(1.07); C339(1.09); C249(1.14)  LDD0673  [14]
 LDCM0275  AKOS034007705 HCT 116 C339(0.62); C296(0.66); C346(0.72); C493(0.84)  LDD0592  [14]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0405  [1]
 LDCM0020  ARS-1620 HCC44 C339(0.87); C493(0.86); C346(0.85)  LDD0078  [14]
 LDCM0498  BS-3668 MDA-MB-231 C493(0.68); C235(0.58)  LDD2091  [10]
 LDCM0630  CCW28-3 231MFP C296(1.25); C157(1.25)  LDD2214  [37]
 LDCM0108  Chloroacetamide HeLa C296(0.00); H82(0.00); H131(0.00); H575(0.00)  LDD0222  [29]
 LDCM0632  CL-Sc Hep-G2 C493(1.00); C339(0.83)  LDD2227  [32]
 LDCM0367  CL1 HCT 116 C296(0.84); C249(0.86); C346(0.96); C339(1.02)  LDD0684  [14]
 LDCM0368  CL10 HCT 116 C249(0.73); C493(0.85); C346(0.86); C296(0.87)  LDD0685  [14]
 LDCM0369  CL100 HCT 116 C339(0.94); C346(1.02); C493(1.03); C157(1.22)  LDD0686  [14]
 LDCM0370  CL101 HCT 116 C296(0.77); C339(0.79); C346(0.81); C493(0.88)  LDD0687  [14]
 LDCM0371  CL102 HCT 116 C157(0.97); C296(1.00); C493(1.08); C339(1.24)  LDD0688  [14]
 LDCM0372  CL103 HCT 116 C157(0.97); C339(1.08); C346(1.10); C249(1.11)  LDD0689  [14]
 LDCM0373  CL104 HCT 116 C157(0.84); C339(0.98); C296(1.03); C249(1.05)  LDD0690  [14]
 LDCM0374  CL105 HCT 116 C249(0.92); C296(0.94); C346(0.98); C339(1.01)  LDD0691  [14]
 LDCM0375  CL106 HCT 116 C249(0.95); C296(0.99); C346(1.01); C339(1.03)  LDD0692  [14]
 LDCM0376  CL107 HCT 116 C339(0.89); C346(0.91); C296(0.95); C249(1.02)  LDD0693  [14]
 LDCM0377  CL108 HCT 116 C296(0.86); C339(0.88); C346(0.94); C249(1.14)  LDD0694  [14]
 LDCM0378  CL109 HCT 116 C296(0.85); C346(0.87); C249(0.88); C493(0.92)  LDD0695  [14]
 LDCM0379  CL11 HCT 116 C249(0.78); C339(0.90); C493(0.90); C346(0.91)  LDD0696  [14]
 LDCM0380  CL110 HCT 116 C346(0.74); C339(0.79); C296(0.83); C493(1.06)  LDD0697  [14]
 LDCM0381  CL111 HCT 116 C493(0.75); C296(0.76); C346(0.84); C249(0.86)  LDD0698  [14]
 LDCM0382  CL112 HCT 116 C249(0.80); C339(0.89); C296(0.97); C493(1.03)  LDD0699  [14]
 LDCM0383  CL113 HCT 116 C493(0.68); C249(0.69); C296(0.70); C339(0.74)  LDD0700  [14]
 LDCM0384  CL114 HCT 116 C493(0.55); C249(0.66); C296(0.94); C346(1.13)  LDD0701  [14]
 LDCM0385  CL115 HCT 116 C493(0.58); C346(0.72); C296(0.75); C339(0.78)  LDD0702  [14]
 LDCM0386  CL116 HCT 116 C493(0.65); C346(0.76); C249(0.76); C339(0.79)  LDD0703  [14]
 LDCM0387  CL117 HCT 116 C296(0.96); C493(0.98); C339(1.02); C249(1.03)  LDD0704  [14]
 LDCM0388  CL118 HCT 116 C493(0.86); C249(0.92); C296(0.93); C339(0.97)  LDD0705  [14]
 LDCM0389  CL119 HCT 116 C493(0.78); C296(0.85); C346(0.93); C249(0.94)  LDD0706  [14]
 LDCM0390  CL12 HCT 116 C339(0.83); C249(0.87); C346(0.87); C493(0.90)  LDD0707  [14]
 LDCM0391  CL120 HCT 116 C493(0.66); C296(0.92); C346(0.98); C249(1.01)  LDD0708  [14]
 LDCM0392  CL121 HCT 116 C493(0.62); C249(0.65); C296(0.77); C346(0.79)  LDD0709  [14]
 LDCM0393  CL122 HCT 116 C493(0.71); C296(0.90); C249(0.97); C339(1.03)  LDD0710  [14]
 LDCM0394  CL123 HCT 116 C346(0.75); C493(0.75); C296(0.82); C339(0.83)  LDD0711  [14]
 LDCM0395  CL124 HCT 116 C493(0.60); C346(0.77); C339(0.80); C296(0.81)  LDD0712  [14]
 LDCM0396  CL125 HCT 116 C296(0.82); C339(0.84); C346(0.93); C493(0.99)  LDD0713  [14]
 LDCM0397  CL126 HCT 116 C296(0.89); C346(0.93); C339(0.93); C493(0.96)  LDD0714  [14]
 LDCM0398  CL127 HCT 116 C339(0.80); C346(0.89); C493(0.91); C249(1.02)  LDD0715  [14]
 LDCM0399  CL128 HCT 116 C339(0.56); C346(0.66); C296(0.72); C493(0.80)  LDD0716  [14]
 LDCM0400  CL13 HCT 116 C249(0.81); C339(0.87); C346(0.90); C493(1.00)  LDD0717  [14]
 LDCM0401  CL14 HCT 116 C249(0.85); C493(0.98); C346(1.00); C339(1.02)  LDD0718  [14]
 LDCM0402  CL15 HCT 116 C249(0.77); C346(1.02); C493(1.02); C339(1.03)  LDD0719  [14]
 LDCM0403  CL16 HCT 116 C249(0.64); C296(0.70); C493(0.80); C346(1.04)  LDD0720  [14]
 LDCM0404  CL17 HCT 116 C249(0.75); C493(1.08); C296(1.11); C346(1.27)  LDD0721  [14]
 LDCM0405  CL18 HCT 116 C249(0.87); C493(1.04); C296(1.10); C339(1.34)  LDD0722  [14]
 LDCM0406  CL19 HCT 116 C249(0.78); C346(0.88); C493(0.89); C339(0.94)  LDD0723  [14]
 LDCM0407  CL2 HCT 116 C249(0.97); C296(1.01); C346(1.10); C339(1.19)  LDD0724  [14]
 LDCM0408  CL20 HCT 116 C249(0.58); C493(0.68); C346(0.76); C339(0.78)  LDD0725  [14]
 LDCM0409  CL21 HCT 116 C249(0.62); C346(0.78); C339(0.83); C493(0.84)  LDD0726  [14]
 LDCM0410  CL22 HCT 116 C249(0.75); C493(0.81); C346(0.83); C339(0.84)  LDD0727  [14]
 LDCM0411  CL23 HCT 116 C249(0.70); C346(0.71); C339(0.73); C493(0.79)  LDD0728  [14]
 LDCM0412  CL24 HCT 116 C249(0.68); C296(0.94); C339(0.81); C346(0.73)  LDD0729  [14]
 LDCM0413  CL25 HCT 116 C249(0.69); C296(1.00); C339(0.60); C346(0.57)  LDD0730  [14]
 LDCM0414  CL26 HCT 116 C249(0.71); C296(0.86); C339(0.83); C346(0.78)  LDD0731  [14]
 LDCM0415  CL27 HCT 116 C249(0.79); C296(1.10); C339(0.73); C346(0.68)  LDD0732  [14]
 LDCM0416  CL28 HCT 116 C249(0.67); C296(0.85); C339(0.69); C346(0.63)  LDD0733  [14]
 LDCM0417  CL29 HCT 116 C249(0.67); C296(0.95); C339(0.72); C346(0.67)  LDD0734  [14]
 LDCM0418  CL3 HCT 116 C249(0.83); C296(0.97); C339(1.12); C346(1.08)  LDD0735  [14]
 LDCM0419  CL30 HCT 116 C249(0.78); C296(1.36); C339(0.97); C346(0.94)  LDD0736  [14]
 LDCM0420  CL31 HCT 116 C249(0.97); C296(0.92); C339(0.95); C346(0.99)  LDD0737  [14]
 LDCM0421  CL32 HCT 116 C249(0.96); C296(0.87); C339(1.42); C346(1.36)  LDD0738  [14]
 LDCM0422  CL33 HCT 116 C249(0.92); C296(0.73); C339(1.13); C346(1.11)  LDD0739  [14]
 LDCM0423  CL34 HCT 116 C249(1.06); C296(0.69); C339(0.78); C346(0.79)  LDD0740  [14]
 LDCM0424  CL35 HCT 116 C249(1.10); C296(0.78); C339(0.96); C346(0.92)  LDD0741  [14]
 LDCM0425  CL36 HCT 116 C249(1.02); C296(0.73); C339(0.99); C346(1.03)  LDD0742  [14]
 LDCM0426  CL37 HCT 116 C249(1.06); C296(0.69); C339(0.89); C346(0.87)  LDD0743  [14]
 LDCM0428  CL39 HCT 116 C249(1.23); C296(0.68); C339(0.86); C346(0.83)  LDD0745  [14]
 LDCM0429  CL4 HCT 116 C249(0.77); C296(1.22); C339(0.96); C346(0.91)  LDD0746  [14]
 LDCM0430  CL40 HCT 116 C249(0.89); C296(0.71); C339(0.82); C346(0.80)  LDD0747  [14]
 LDCM0431  CL41 HCT 116 C249(1.01); C296(0.82); C339(0.90); C346(0.98)  LDD0748  [14]
 LDCM0432  CL42 HCT 116 C249(1.18); C296(0.75); C339(1.00); C346(1.08)  LDD0749  [14]
 LDCM0433  CL43 HCT 116 C249(0.84); C296(0.69); C339(0.84); C346(0.89)  LDD0750  [14]
 LDCM0434  CL44 HCT 116 C249(1.48); C296(0.76); C339(0.87); C346(0.99)  LDD0751  [14]
 LDCM0435  CL45 HCT 116 C249(1.27); C296(0.70); C339(0.68); C346(0.72)  LDD0752  [14]
 LDCM0436  CL46 HCT 116 C157(0.85); C249(0.79); C296(0.87); C339(0.98)  LDD0753  [14]
 LDCM0437  CL47 HCT 116 C157(0.91); C249(0.90); C296(0.87); C339(1.06)  LDD0754  [14]
 LDCM0438  CL48 HCT 116 C157(0.85); C249(0.86); C296(0.87); C339(1.09)  LDD0755  [14]
 LDCM0439  CL49 HCT 116 C157(1.06); C249(0.79); C296(1.15); C339(1.09)  LDD0756  [14]
 LDCM0440  CL5 HCT 116 C249(0.77); C296(1.04); C339(1.07); C346(1.02)  LDD0757  [14]
 LDCM0441  CL50 HCT 116 C157(1.18); C249(0.90); C296(0.97); C339(1.15)  LDD0758  [14]
 LDCM0442  CL51 HCT 116 C157(0.95); C249(0.81); C296(1.02); C339(1.06)  LDD0759  [14]
 LDCM0443  CL52 HCT 116 C157(1.01); C249(0.70); C296(0.72); C339(1.07)  LDD0760  [14]
 LDCM0444  CL53 HCT 116 C157(0.90); C249(0.90); C296(0.77); C339(1.12)  LDD0761  [14]
 LDCM0445  CL54 HCT 116 C157(0.96); C249(0.76); C296(0.84); C339(0.98)  LDD0762  [14]
 LDCM0446  CL55 HCT 116 C157(0.99); C249(0.90); C296(1.07); C339(1.00)  LDD0763  [14]
 LDCM0447  CL56 HCT 116 C157(0.90); C249(1.09); C296(0.89); C339(1.02)  LDD0764  [14]
 LDCM0448  CL57 HCT 116 C157(1.02); C249(0.92); C296(1.01); C339(1.10)  LDD0765  [14]
 LDCM0449  CL58 HCT 116 C157(1.19); C249(0.82); C296(0.98); C339(1.02)  LDD0766  [14]
 LDCM0450  CL59 HCT 116 C157(1.12); C249(1.03); C296(1.06); C339(1.05)  LDD0767  [14]
 LDCM0451  CL6 HCT 116 C249(0.75); C296(1.00); C339(1.34); C346(1.33)  LDD0768  [14]
 LDCM0452  CL60 HCT 116 C157(1.02); C249(0.87); C296(0.87); C339(1.04)  LDD0769  [14]
 LDCM0453  CL61 HCT 116 C249(1.13); C296(0.96); C339(0.74); C346(0.83)  LDD0770  [14]
 LDCM0454  CL62 HCT 116 C249(0.95); C296(1.04); C339(0.70); C346(0.82)  LDD0771  [14]
 LDCM0455  CL63 HCT 116 C249(1.20); C296(1.06); C339(0.79); C346(0.93)  LDD0772  [14]
 LDCM0456  CL64 HCT 116 C249(1.10); C296(1.08); C339(0.69); C346(0.74)  LDD0773  [14]
 LDCM0457  CL65 HCT 116 C249(1.09); C296(1.02); C339(0.83); C346(0.89)  LDD0774  [14]
 LDCM0458  CL66 HCT 116 C249(1.10); C296(0.90); C339(0.68); C346(0.73)  LDD0775  [14]
 LDCM0459  CL67 HCT 116 C249(0.97); C296(1.01); C339(0.86); C346(0.95)  LDD0776  [14]
 LDCM0460  CL68 HCT 116 C249(1.10); C296(1.12); C339(1.06); C346(1.14)  LDD0777  [14]
 LDCM0461  CL69 HCT 116 C249(1.04); C296(1.16); C339(1.05); C346(1.15)  LDD0778  [14]
 LDCM0462  CL7 HCT 116 C249(0.77); C296(1.05); C339(0.77); C346(0.80)  LDD0779  [14]
 LDCM0463  CL70 HCT 116 C249(0.99); C296(0.94); C339(0.72); C346(0.74)  LDD0780  [14]
 LDCM0464  CL71 HCT 116 C249(0.94); C296(1.04); C339(0.67); C346(0.73)  LDD0781  [14]
 LDCM0465  CL72 HCT 116 C249(1.05); C296(0.99); C339(0.66); C346(0.69)  LDD0782  [14]
 LDCM0466  CL73 HCT 116 C249(1.02); C296(1.17); C339(0.65); C346(0.71)  LDD0783  [14]
 LDCM0467  CL74 HCT 116 C249(1.10); C296(0.99); C339(0.70); C346(0.71)  LDD0784  [14]
 LDCM0469  CL76 HCT 116 C157(0.87); C249(1.26); C296(0.99); C339(1.06)  LDD0786  [14]
 LDCM0470  CL77 HCT 116 C157(1.07); C249(1.03); C296(1.13); C339(1.27)  LDD0787  [14]
 LDCM0471  CL78 HCT 116 C157(0.75); C249(1.18); C296(0.77); C339(1.04)  LDD0788  [14]
 LDCM0472  CL79 HCT 116 C157(1.18); C249(1.27); C296(0.88); C339(1.04)  LDD0789  [14]
 LDCM0473  CL8 HCT 116 C249(0.94); C296(0.80); C339(0.83); C346(0.87)  LDD0790  [14]
 LDCM0474  CL80 HCT 116 C157(1.04); C249(1.06); C296(1.15); C339(1.45)  LDD0791  [14]
 LDCM0475  CL81 HCT 116 C157(0.90); C249(1.21); C296(1.06); C339(1.08)  LDD0792  [14]
 LDCM0476  CL82 HCT 116 C157(1.10); C249(1.43); C296(1.19); C339(1.19)  LDD0793  [14]
 LDCM0477  CL83 HCT 116 C157(1.36); C249(1.50); C296(0.93); C339(0.96)  LDD0794  [14]
 LDCM0478  CL84 HCT 116 C157(1.26); C249(1.61); C296(1.00); C339(0.95)  LDD0795  [14]
 LDCM0479  CL85 HCT 116 C157(1.04); C249(1.18); C296(0.91); C339(0.81)  LDD0796  [14]
 LDCM0480  CL86 HCT 116 C157(0.91); C249(1.02); C296(0.79); C339(1.00)  LDD0797  [14]
 LDCM0481  CL87 HCT 116 C157(0.98); C249(1.45); C296(1.07); C339(0.99)  LDD0798  [14]
 LDCM0482  CL88 HCT 116 C157(0.98); C249(1.39); C296(1.37); C339(1.13)  LDD0799  [14]
 LDCM0483  CL89 HCT 116 C157(1.22); C249(1.80); C296(1.01); C339(1.20)  LDD0800  [14]
 LDCM0484  CL9 HCT 116 C249(0.84); C296(0.94); C339(0.88); C346(0.91)  LDD0801  [14]
 LDCM0485  CL90 HCT 116 C157(0.93); C249(0.83); C296(1.07); C339(1.20)  LDD0802  [14]
 LDCM0486  CL91 HCT 116 C157(1.07); C249(1.14); C296(1.34); C339(0.94)  LDD0803  [14]
 LDCM0487  CL92 HCT 116 C157(1.19); C249(0.91); C296(0.94); C339(1.04)  LDD0804  [14]
 LDCM0488  CL93 HCT 116 C157(1.38); C249(1.19); C296(1.70); C339(1.11)  LDD0805  [14]
 LDCM0489  CL94 HCT 116 C157(1.27); C249(1.32); C296(1.26); C339(1.12)  LDD0806  [14]
 LDCM0490  CL95 HCT 116 C157(1.10); C249(1.19); C296(1.21); C339(0.93)  LDD0807  [14]
 LDCM0491  CL96 HCT 116 C157(1.36); C249(1.41); C296(1.12); C339(0.93)  LDD0808  [14]
 LDCM0492  CL97 HCT 116 C157(1.32); C249(1.23); C296(1.17); C339(0.93)  LDD0809  [14]
 LDCM0493  CL98 HCT 116 C157(1.52); C249(1.21); C296(1.19); C339(0.89)  LDD0810  [14]
 LDCM0494  CL99 HCT 116 C157(0.87); C249(1.19); C296(1.36); C339(0.93)  LDD0811  [14]
 LDCM0495  E2913 HEK-293T C249(1.01); C296(1.00); C493(0.94); C418(1.23)  LDD1698  [38]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C493(3.92)  LDD1702  [10]
 LDCM0625  F8 Ramos C493(0.63)  LDD2187  [39]
 LDCM0572  Fragment10 Ramos C493(0.44)  LDD2189  [39]
 LDCM0573  Fragment11 Ramos C493(0.45)  LDD2190  [39]
 LDCM0574  Fragment12 Ramos C493(0.50)  LDD2191  [39]
 LDCM0575  Fragment13 Ramos C493(0.90)  LDD2192  [39]
 LDCM0576  Fragment14 Ramos C493(1.13)  LDD2193  [39]
 LDCM0579  Fragment20 Ramos C493(0.42)  LDD2194  [39]
 LDCM0580  Fragment21 Ramos C493(0.70)  LDD2195  [39]
 LDCM0582  Fragment23 Ramos C493(0.92)  LDD2196  [39]
 LDCM0578  Fragment27 Ramos C493(0.68)  LDD2197  [39]
 LDCM0586  Fragment28 Ramos C493(0.81)  LDD2198  [39]
 LDCM0588  Fragment30 Ramos C493(0.72)  LDD2199  [39]
 LDCM0589  Fragment31 Ramos C493(0.96)  LDD2200  [39]
 LDCM0590  Fragment32 Ramos C493(0.42)  LDD2201  [39]
 LDCM0468  Fragment33 HCT 116 C249(0.92); C296(0.96); C339(0.83); C346(0.81)  LDD0785  [14]
 LDCM0596  Fragment38 Ramos C493(0.78)  LDD2203  [39]
 LDCM0566  Fragment4 Ramos C493(0.87)  LDD2184  [39]
 LDCM0427  Fragment51 HCT 116 C249(1.20); C296(0.65); C339(0.89); C346(0.89)  LDD0744  [14]
 LDCM0610  Fragment52 Ramos C493(0.94)  LDD2204  [39]
 LDCM0614  Fragment56 Ramos C493(0.96)  LDD2205  [39]
 LDCM0569  Fragment7 Ramos C493(0.68)  LDD2186  [39]
 LDCM0571  Fragment9 Ramos C493(0.35)  LDD2188  [39]
 LDCM0116  HHS-0101 DM93 Y397(0.84); Y264(0.93); Y631(1.11); Y295(1.63)  LDD0264  [12]
 LDCM0117  HHS-0201 DM93 Y631(0.41); Y264(0.58); Y397(0.79); Y295(10.81)  LDD0265  [12]
 LDCM0118  HHS-0301 DM93 Y264(0.52); Y397(0.77); Y295(0.87); Y631(1.24)  LDD0266  [12]
 LDCM0119  HHS-0401 DM93 Y264(0.62); Y397(0.88); Y631(0.92); Y295(1.68)  LDD0267  [12]
 LDCM0120  HHS-0701 DM93 Y397(0.88); Y631(0.91); Y264(1.03); Y295(2.15)  LDD0268  [12]
 LDCM0107  IAA HeLa H575(0.00); C296(0.00); H558(0.00); H411(0.00)  LDD0221  [29]
 LDCM0022  KB02 HCT 116 C339(6.41); C493(4.26); C346(2.11); C296(1.66)  LDD0080  [14]
 LDCM0023  KB03 HCT 116 C339(7.60); C493(4.78); C346(2.35); C296(1.53)  LDD0081  [14]
 LDCM0024  KB05 HCT 116 C339(11.74); C493(5.28); C346(2.47); C296(1.72)  LDD0082  [14]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C493(1.44); C339(1.31); C235(0.70)  LDD2102  [10]
 LDCM0109  NEM HeLa H558(0.00); H131(0.00); H411(0.00); H82(0.00)  LDD0223  [29]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C235(0.39)  LDD2089  [10]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C493(1.18); C339(1.61); C235(0.82)  LDD2090  [10]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C493(2.04); C339(1.23); C235(0.96)  LDD2092  [10]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C493(1.29)  LDD2093  [10]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C493(2.13); C339(2.10); C235(1.48)  LDD2094  [10]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C493(0.74); C235(0.67)  LDD2097  [10]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C493(0.93); C339(0.88); C235(1.03)  LDD2098  [10]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C493(1.20); C339(0.98); C235(1.18)  LDD2099  [10]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C235(0.52)  LDD2100  [10]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C493(1.01); C235(0.63)  LDD2101  [10]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C493(0.51); C339(0.64); C235(0.60)  LDD2104  [10]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C493(1.41); C339(2.86); C235(0.82)  LDD2105  [10]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C493(0.63); C235(0.44)  LDD2106  [10]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C493(1.07); C339(0.82); C235(1.13)  LDD2107  [10]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C493(0.42)  LDD2108  [10]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C493(0.85); C339(0.75); C235(0.69)  LDD2109  [10]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C493(1.20); C339(0.78); C235(1.05)  LDD2110  [10]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C493(1.38)  LDD2111  [10]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C493(0.63); C339(0.49); C235(0.77)  LDD2114  [10]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C493(0.59); C235(0.34)  LDD2115  [10]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C493(0.59); C339(0.67); C235(0.42)  LDD2116  [10]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C339(0.58); C235(0.50)  LDD2118  [10]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C493(1.85); C235(1.91)  LDD2119  [10]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C235(0.72)  LDD2120  [10]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C493(0.49); C339(0.74)  LDD2122  [10]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C493(1.11); C339(0.81); C235(0.95)  LDD2123  [10]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C339(0.60); C235(0.29)  LDD2124  [10]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C235(0.95)  LDD2125  [10]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C493(0.41)  LDD2126  [10]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C493(1.48); C339(0.68); C235(1.19)  LDD2127  [10]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C493(1.18); C339(0.94)  LDD2129  [10]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C493(0.53); C235(0.71)  LDD2133  [10]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C493(0.48)  LDD2134  [10]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C493(1.78); C339(0.88); C235(1.97)  LDD2135  [10]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C493(1.50); C235(1.39)  LDD2136  [10]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C493(1.10); C339(0.81); C235(0.98)  LDD2137  [10]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C235(1.95)  LDD1700  [10]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C493(0.88); C339(0.96); C235(0.96)  LDD2140  [10]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C493(0.50); C235(0.45)  LDD2141  [10]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C235(0.66)  LDD2143  [10]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C493(1.62); C235(1.77)  LDD2144  [10]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C493(0.39); C235(3.21)  LDD2145  [10]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C493(1.16); C339(0.78); C235(1.04)  LDD2146  [10]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C493(0.64); C235(0.44)  LDD2148  [10]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C235(0.35)  LDD2149  [10]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C493(0.65); C235(0.53)  LDD2150  [10]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C493(1.24); C339(0.67); C235(0.24)  LDD2151  [10]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C493(1.69); C339(4.83)  LDD2153  [10]
 LDCM0627  NUDT7-COV-1 HEK-293T C339(0.67)  LDD2206  [40]
 LDCM0131  RA190 MM1.R C296(1.46)  LDD0304  [41]
 LDCM0021  THZ1 HCT 116 C339(1.17); C346(1.13)  LDD2173  [14]
 LDCM0110  W12 Hep-G2 Y264(0.52); C493(0.73)  LDD0237  [30]
 LDCM0113  W17 Hep-G2 H496(13.89)  LDD0240  [30]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Aprataxin and PNK-like factor (APLF) APLF family Q8IW19
X-ray repair cross-complementing protein 6 (XRCC6) Ku70 family P12956
Ubiquitin thioesterase ZRANB1 (ZRANB1) Peptidase C64 family Q9UGI0
DNA-dependent protein kinase catalytic subunit (PRKDC) PI3/PI4-kinase family P78527
Protein phosphatase 1G (PPM1G) PP2C family O15355
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Homeobox protein Hox-B7 (HOXB7) Antp homeobox family P09629
Other
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Coilin (COIL) Coilin family P38432
Golgi phosphoprotein 3 (GOLPH3) GOLPH3/VPS74 family Q9H4A6
Heat shock protein beta-1 (HSPB1) Small heat shock protein (HSP20) family P04792
Translationally-controlled tumor protein (TPT1) TCTP family P13693
Protein PAXX (PAXX) XRCC4-XLF family Q9BUH6

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
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 Charting the Chemical Space of Acrylamide-Based Inhibitors of zDHHC20. ACS Med Chem Lett. 2022 Sep 26;13(10):1648-1654. doi: 10.1021/acsmedchemlett.2c00336. eCollection 2022 Oct 13.
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 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
7 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
8 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
9 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.
10 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
11 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
12 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.
13 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.
14 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.
15 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
16 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.
17 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
18 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
19 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
20 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
21 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
22 Multiplexed CuAAC Suzuki-Miyaura Labeling for Tandem Activity-Based Chemoproteomic Profiling. Anal Chem. 2021 Feb 2;93(4):2610-2618. doi: 10.1021/acs.analchem.0c04726. Epub 2021 Jan 20.
Mass spectrometry data entry: PXD022279
23 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
24 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
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Mass spectrometry data entry: PXD039931
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Mass spectrometry data entry: PXD001377 , PXD005252
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Mass spectrometry data entry: PXD041264
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