Details of the Target

General Information of Target

Target ID LDTP03521
Target Name Protein disulfide-isomerase A3 (PDIA3)
Gene Name PDIA3
Gene ID 2923
Synonyms
ERP57; ERP60; GRP58; Protein disulfide-isomerase A3; EC 5.3.4.1; 58 kDa glucose-regulated protein; 58 kDa microsomal protein; p58; Disulfide isomerase ER-60; Endoplasmic reticulum resident protein 57; ER protein 57; ERp57; Endoplasmic reticulum resident protein 60; ER protein 60; ERp60
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MRLRRLALFPGVALLLAAARLAAASDVLELTDDNFESRISDTGSAGLMLVEFFAPWCGHC
KRLAPEYEAAATRLKGIVPLAKVDCTANTNTCNKYGVSGYPTLKIFRDGEEAGAYDGPRT
ADGIVSHLKKQAGPASVPLRTEEEFKKFISDKDASIVGFFDDSFSEAHSEFLKAASNLRD
NYRFAHTNVESLVNEYDDNGEGIILFRPSHLTNKFEDKTVAYTEQKMTSGKIKKFIQENI
FGICPHMTEDNKDLIQGKDLLIAYYDVDYEKNAKGSNYWRNRVMMVAKKFLDAGHKLNFA
VASRKTFSHELSDFGLESTAGEIPVVAIRTAKGEKFVMQEEFSRDGKALERFLQDYFDGN
LKRYLKSEPIPESNDGPVKVVVAENFDEIVNNENKDVLIEFYAPWCGHCKNLEPKYKELG
EKLSKDPNIVIAKMDATANDVPSPYEVRGFPTIYFSPANKKLNPKKYEGGRELSDFISYL
QREATNPPVIQEEKPKKKKKAQEDL
Target Bioclass
Enzyme
Family
Protein disulfide isomerase family
Subcellular location
Endoplasmic reticulum
Function
Protein disulfide isomerase that catalyzes the formation, isomerization, and reduction or oxidation of disulfide bonds in client proteins and functions as a protein folding chaperone. Core component of the major histocompatibility complex class I (MHC I) peptide loading complex where it functions as an essential folding chaperone for TAPBP. Through TAPBP, assists the dynamic assembly of the MHC I complex with high affinity antigens in the endoplasmic reticulum. Therefore, plays a crucial role in the presentation of antigens to cytotoxic T cells in adaptive immunity.
Uniprot ID
P30101
Ensemble ID
ENST00000300289.10
HGNC ID
HGNC:4606
ChEMBL ID
CHEMBL4296001

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 53 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		8.32  LDD0402  [1]
P2
 Probe Info  		3.67  LDD0449  [2]
P3
 Probe Info  		1.75  LDD0450  [2]
P8
 Probe Info  		10.00  LDD0451  [2]
A-EBA
 Probe Info  		3.05  LDD0215  [3]
DAyne
 Probe Info  		4.15  LDD0261  [4]
CY-1
 Probe Info  		3.03  LDD0243  [5]
CY4
 Probe Info  		3.52  LDD0244  [5]
W1
 Probe Info  		25.69  LDD0235  [6]
TH211
 Probe Info  		Y356(20.00); Y416(12.10); Y222(9.60); Y445(20.00)  LDD0260  [7]
TH214
 Probe Info  		Y356(20.00); Y222(14.32); Y95(5.76); Y67(5.48)  LDD0258  [7]
TH216
 Probe Info  		Y479(20.00); Y356(16.56); Y222(12.06)  LDD0259  [7]
YN-1
 Probe Info  		2.03  LDD0444  [8]
YN-4
 Probe Info  		100.00  LDD0445  [8]
BTD
 Probe Info  		C92(5.48); C85(6.21)  LDD1699  [9]
ONAyne
 Probe Info  		K466(0.00); K129(0.00); K366(0.00); K362(0.00)  LDD0273  [10]
IPM
 Probe Info  		C406(0.00); C409(0.00); C57(0.00); C60(0.00)  LDD0241  [6]
OPA-S-S-alkyne
 Probe Info  		K104(1.07); K129(1.94); K362(2.15); K433(2.22)  LDD3494  [11]
Probe 1
 Probe Info  		Y67(24.34); Y95(23.54); Y100(28.34); Y115(109.86)  LDD3495  [12]
P12
 Probe Info  		18.04  LDD0202  [13]
JZ128-DTB
 Probe Info  		C244(0.00); C92(0.00); C85(0.00)  LDD0462  [14]
AHL-Pu-1
 Probe Info  		C406(6.25)  LDD0170  [15]
HHS-482
 Probe Info  		Y100(0.90); Y222(0.98); Y67(1.17); Y95(0.65)  LDD0285  [16]
HHS-475
 Probe Info  		Y100(0.90); Y416(0.96)  LDD0264  [17]
HHS-465
 Probe Info  		Y100(10.00)  LDD2237  [18]
DBIA
 Probe Info  		C92(1.14); C57(1.04); C60(0.94); C85(0.93)  LDD0078  [19]
5E-2FA
 Probe Info  		H210(0.00); H246(0.00); H295(0.00); H309(0.00)  LDD2235  [20]
AMP probe
 Probe Info  		K214(0.00); K226(0.00)  LDD0200  [21]
ATP probe
 Probe Info  		K214(0.00); K226(0.00); K129(0.00); K130(0.00)  LDD0199  [21]
4-Iodoacetamidophenylacetylene
 Probe Info  		C406(0.00); C409(0.00); C244(0.00); C92(0.00)  LDD0038  [22]
IA-alkyne
 Probe Info  		C244(0.00); C85(0.00)  LDD0032  [23]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [24]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [24]
Lodoacetamide azide
 Probe Info  		C406(0.00); C409(0.00); C244(0.00); C57(0.00)  LDD0037  [22]
ATP probe
 Probe Info  		K94(0.00); K347(0.00); K335(0.00); K288(0.00)  LDD0035  [25]
NAIA_4
 Probe Info  		N.A.  LDD2226  [26]
WYneN
 Probe Info  		C85(0.00); C92(0.00)  LDD0021  [27]
1d-yne
 Probe Info  		K305(0.00); K433(0.00)  LDD0356  [28]
Compound 10
 Probe Info  		C406(0.00); C85(0.00); C92(0.00)  LDD2216  [29]
Compound 11
 Probe Info  		N.A.  LDD2213  [29]
NHS
 Probe Info  		K425(0.00); K362(0.00); K226(0.00); K218(0.00)  LDD0010  [27]
PF-06672131
 Probe Info  		N.A.  LDD0152  [30]
SF
 Probe Info  		Y100(0.00); K129(0.00)  LDD0028  [31]
STPyne
 Probe Info  		K425(0.00); K274(0.00); K226(0.00); K494(0.00)  LDD0009  [27]
TFBX
 Probe Info  		N.A.  LDD0148  [32]
VSF
 Probe Info  		C85(0.00); C92(0.00)  LDD0007  [27]
Phosphinate-6
 Probe Info  		C244(0.00); C92(0.00); C406(0.00); C85(0.00)  LDD0018  [33]
1c-yne
 Probe Info  		K335(0.00); K433(0.00); K214(0.00); K379(0.00)  LDD0228  [28]
Acrolein
 Probe Info  		C244(0.00); H168(0.00); H309(0.00); C85(0.00)  LDD0217  [34]
Cinnamaldehyde
 Probe Info  		C92(0.00); C85(0.00)  LDD0220  [34]
Crotonaldehyde
 Probe Info  		C85(0.00); C92(0.00); H309(0.00)  LDD0219  [34]
Methacrolein
 Probe Info  		C85(0.00); C244(0.00); C92(0.00)  LDD0218  [34]
NAIA_5
 Probe Info  		C244(0.00); C92(0.00); C57(0.00); C85(0.00)  LDD2223  [26]
PAL-AfBPP Probe
Click To Hide/Show 6 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info  		5.45  LDD0475  [35]
FFF probe14
 Probe Info  		5.04  LDD0477  [35]
FFF probe3
 Probe Info  		11.89  LDD0464  [35]
STS-1
 Probe Info  		N.A.  LDD0137  [36]
VE-P
 Probe Info  		N.A.  LDD0396  [37]
DA-2
 Probe Info  		N.A.  LDD0070  [38]

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 C92(0.81); C85(0.74); C244(0.61)  LDD2142  [9]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C92(0.62); C85(0.58); C244(0.83)  LDD2112  [9]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C92(0.75); C85(0.59)  LDD2095  [9]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C92(1.06); C85(0.98)  LDD2130  [9]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C92(0.69); C85(0.87); C244(0.86)  LDD2117  [9]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C92(1.12)  LDD2152  [9]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C244(0.98)  LDD2103  [9]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C92(0.40); C244(0.71)  LDD2132  [9]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C92(0.53); C85(0.63); C244(0.72)  LDD2131  [9]
 LDCM0025  4SU-RNA DM93 C406(6.25)  LDD0170  [15]
 LDCM0214  AC1 HCT 116 C85(1.04); C92(1.03)  LDD0531  [19]
 LDCM0215  AC10 HCT 116 C85(0.99); C92(1.05)  LDD0532  [19]
 LDCM0216  AC100 HCT 116 C85(0.76); C92(0.76)  LDD0533  [19]
 LDCM0217  AC101 HCT 116 C85(0.97); C92(0.76)  LDD0534  [19]
 LDCM0218  AC102 HCT 116 C85(0.89); C92(0.81)  LDD0535  [19]
 LDCM0219  AC103 HCT 116 C85(0.86); C92(0.75)  LDD0536  [19]
 LDCM0220  AC104 HCT 116 C85(0.86); C92(0.81)  LDD0537  [19]
 LDCM0221  AC105 HCT 116 C85(0.91); C92(0.83)  LDD0538  [19]
 LDCM0222  AC106 HCT 116 C85(0.77); C92(0.75)  LDD0539  [19]
 LDCM0223  AC107 HCT 116 C85(0.87); C92(0.92)  LDD0540  [19]
 LDCM0224  AC108 HCT 116 C85(0.91); C92(0.84)  LDD0541  [19]
 LDCM0225  AC109 HCT 116 C85(0.93); C92(0.83)  LDD0542  [19]
 LDCM0226  AC11 HCT 116 C85(0.79); C92(0.88)  LDD0543  [19]
 LDCM0227  AC110 HCT 116 C85(0.84); C92(0.77)  LDD0544  [19]
 LDCM0228  AC111 HCT 116 C85(0.81); C92(0.78)  LDD0545  [19]
 LDCM0229  AC112 HCT 116 C85(0.94); C92(0.91)  LDD0546  [19]
 LDCM0230  AC113 HCT 116 C85(1.08); C92(1.09)  LDD0547  [19]
 LDCM0231  AC114 HCT 116 C85(0.89); C92(0.89)  LDD0548  [19]
 LDCM0232  AC115 HCT 116 C85(0.62); C92(0.63)  LDD0549  [19]
 LDCM0233  AC116 HCT 116 C85(0.72); C92(0.69)  LDD0550  [19]
 LDCM0234  AC117 HCT 116 C85(0.86); C92(0.91)  LDD0551  [19]
 LDCM0235  AC118 HCT 116 C85(0.95); C92(0.97)  LDD0552  [19]
 LDCM0236  AC119 HCT 116 C85(0.97); C92(0.99)  LDD0553  [19]
 LDCM0237  AC12 HCT 116 C85(0.99); C92(1.04)  LDD0554  [19]
 LDCM0238  AC120 HCT 116 C85(0.82); C92(0.86)  LDD0555  [19]
 LDCM0239  AC121 HCT 116 C85(0.98); C92(1.01)  LDD0556  [19]
 LDCM0240  AC122 HCT 116 C85(1.03); C92(1.05)  LDD0557  [19]
 LDCM0241  AC123 HCT 116 C85(1.09); C92(1.25)  LDD0558  [19]
 LDCM0242  AC124 HCT 116 C85(1.16); C92(1.11)  LDD0559  [19]
 LDCM0243  AC125 HCT 116 C85(0.98); C92(0.96)  LDD0560  [19]
 LDCM0244  AC126 HCT 116 C85(0.70); C92(0.75)  LDD0561  [19]
 LDCM0245  AC127 HCT 116 C85(0.76); C92(0.75)  LDD0562  [19]
 LDCM0246  AC128 HCT 116 C85(0.40); C92(0.40)  LDD0563  [19]
 LDCM0247  AC129 HCT 116 C85(1.23); C92(1.23)  LDD0564  [19]
 LDCM0249  AC130 HCT 116 C85(0.66); C92(0.66)  LDD0566  [19]
 LDCM0250  AC131 HCT 116 C85(1.19); C92(1.19)  LDD0567  [19]
 LDCM0251  AC132 HCT 116 C85(1.11); C92(1.11)  LDD0568  [19]
 LDCM0252  AC133 HCT 116 C85(0.77); C92(0.77)  LDD0569  [19]
 LDCM0253  AC134 HCT 116 C85(0.53); C92(0.53)  LDD0570  [19]
 LDCM0254  AC135 HCT 116 C85(0.50); C92(0.50)  LDD0571  [19]
 LDCM0255  AC136 HCT 116 C85(0.67); C92(0.67)  LDD0572  [19]
 LDCM0256  AC137 HCT 116 C85(0.95); C92(0.95)  LDD0573  [19]
 LDCM0257  AC138 HCT 116 C85(0.59); C92(0.59)  LDD0574  [19]
 LDCM0258  AC139 HCT 116 C85(0.74); C92(0.74)  LDD0575  [19]
 LDCM0259  AC14 HCT 116 C85(0.85); C92(0.92)  LDD0576  [19]
 LDCM0260  AC140 HCT 116 C85(0.49); C92(0.49)  LDD0577  [19]
 LDCM0261  AC141 HCT 116 C85(0.66); C92(0.66)  LDD0578  [19]
 LDCM0262  AC142 HCT 116 C85(1.46); C92(1.46)  LDD0579  [19]
 LDCM0263  AC143 HCT 116 C85(0.92); C92(0.92)  LDD0580  [19]
 LDCM0264  AC144 HCT 116 C92(0.72); C85(0.78)  LDD0581  [19]
 LDCM0265  AC145 HCT 116 C92(0.86); C85(0.93)  LDD0582  [19]
 LDCM0266  AC146 HCT 116 C92(0.67); C85(0.75)  LDD0583  [19]
 LDCM0267  AC147 HCT 116 C92(0.64); C85(0.67)  LDD0584  [19]
 LDCM0268  AC148 HCT 116 C92(0.43); C85(0.63)  LDD0585  [19]
 LDCM0269  AC149 HCT 116 C92(0.51); C85(0.70)  LDD0586  [19]
 LDCM0270  AC15 HCT 116 C85(0.87); C92(0.97)  LDD0587  [19]
 LDCM0271  AC150 HCT 116 C92(1.40); C85(1.49)  LDD0588  [19]
 LDCM0272  AC151 HCT 116 C92(1.03); C85(1.18)  LDD0589  [19]
 LDCM0273  AC152 HCT 116 C92(0.57); C85(0.67)  LDD0590  [19]
 LDCM0274  AC153 HCT 116 C92(0.40); C85(0.73)  LDD0591  [19]
 LDCM0621  AC154 HCT 116 C85(0.82); C92(0.59)  LDD2158  [19]
 LDCM0622  AC155 HCT 116 C85(1.08); C92(0.83)  LDD2159  [19]
 LDCM0623  AC156 HCT 116 C85(1.09); C92(0.95)  LDD2160  [19]
 LDCM0624  AC157 HCT 116 C85(1.26); C92(0.97)  LDD2161  [19]
 LDCM0276  AC17 HCT 116 C85(1.07); C92(1.08)  LDD0593  [19]
 LDCM0277  AC18 HCT 116 C85(0.64); C92(0.65)  LDD0594  [19]
 LDCM0278  AC19 HCT 116 C85(0.92); C92(0.94)  LDD0595  [19]
 LDCM0279  AC2 HCT 116 C92(1.01); C85(1.03)  LDD0596  [19]
 LDCM0280  AC20 HCT 116 C85(1.21); C92(1.23)  LDD0597  [19]
 LDCM0281  AC21 HCT 116 C85(1.06); C92(1.07)  LDD0598  [19]
 LDCM0282  AC22 HCT 116 C85(1.12); C92(1.12)  LDD0599  [19]
 LDCM0283  AC23 HCT 116 C85(1.19); C92(1.20)  LDD0600  [19]
 LDCM0284  AC24 HCT 116 C85(1.54); C92(1.56)  LDD0601  [19]
 LDCM0285  AC25 HCT 116 C85(1.22); C92(1.22)  LDD0602  [19]
 LDCM0286  AC26 HCT 116 C85(1.10); C92(1.11)  LDD0603  [19]
 LDCM0287  AC27 HCT 116 C85(0.98); C92(0.99)  LDD0604  [19]
 LDCM0288  AC28 HCT 116 C92(0.93); C85(0.96)  LDD0605  [19]
 LDCM0289  AC29 HCT 116 C85(1.01); C92(1.04)  LDD0606  [19]
 LDCM0290  AC3 HCT 116 C92(0.95); C85(1.01)  LDD0607  [19]
 LDCM0291  AC30 HCT 116 C85(0.90); C92(0.93)  LDD0608  [19]
 LDCM0292  AC31 HCT 116 C85(0.97); C92(0.98)  LDD0609  [19]
 LDCM0293  AC32 HCT 116 C92(0.75); C85(0.75)  LDD0610  [19]
 LDCM0294  AC33 HCT 116 C85(1.02); C92(1.03)  LDD0611  [19]
 LDCM0295  AC34 HCT 116 C85(0.67); C92(0.71)  LDD0612  [19]
 LDCM0296  AC35 HCT 116 C85(1.91); C92(1.91)  LDD0613  [19]
 LDCM0297  AC36 HCT 116 C85(1.77); C92(1.77)  LDD0614  [19]
 LDCM0298  AC37 HCT 116 C85(1.49); C92(1.49)  LDD0615  [19]
 LDCM0299  AC38 HCT 116 C85(1.23); C92(1.23)  LDD0616  [19]
 LDCM0300  AC39 HCT 116 C85(0.83); C92(0.83)  LDD0617  [19]
 LDCM0301  AC4 HCT 116 C85(0.88); C92(0.90)  LDD0618  [19]
 LDCM0302  AC40 HCT 116 C85(0.73); C92(0.73)  LDD0619  [19]
 LDCM0303  AC41 HCT 116 C85(1.41); C92(1.41)  LDD0620  [19]
 LDCM0304  AC42 HCT 116 C85(0.96); C92(0.96)  LDD0621  [19]
 LDCM0305  AC43 HCT 116 C85(0.91); C92(0.91)  LDD0622  [19]
 LDCM0306  AC44 HCT 116 C85(0.98); C92(0.98)  LDD0623  [19]
 LDCM0307  AC45 HCT 116 C85(0.89); C92(0.89)  LDD0624  [19]
 LDCM0308  AC46 HCT 116 C85(1.01); C92(1.01)  LDD0625  [19]
 LDCM0309  AC47 HCT 116 C85(0.87); C92(0.87)  LDD0626  [19]
 LDCM0310  AC48 HCT 116 C85(0.92); C92(0.92)  LDD0627  [19]
 LDCM0311  AC49 HCT 116 C85(0.47); C92(0.47)  LDD0628  [19]
 LDCM0312  AC5 HCT 116 C85(0.83); C92(0.88)  LDD0629  [19]
 LDCM0313  AC50 HCT 116 C85(0.50); C92(0.50)  LDD0630  [19]
 LDCM0314  AC51 HCT 116 C85(1.62); C92(1.62)  LDD0631  [19]
 LDCM0315  AC52 HCT 116 C85(0.91); C92(0.91)  LDD0632  [19]
 LDCM0316  AC53 HCT 116 C85(0.65); C92(0.65)  LDD0633  [19]
 LDCM0317  AC54 HCT 116 C85(0.69); C92(0.69)  LDD0634  [19]
 LDCM0318  AC55 HCT 116 C85(0.58); C92(0.58)  LDD0635  [19]
 LDCM0319  AC56 HCT 116 C85(0.38); C92(0.38)  LDD0636  [19]
 LDCM0320  AC57 HCT 116 C85(0.82); C92(0.83)  LDD0637  [19]
 LDCM0321  AC58 HCT 116 C85(0.67); C92(0.70)  LDD0638  [19]
 LDCM0322  AC59 HCT 116 C85(0.60); C92(0.61)  LDD0639  [19]
 LDCM0323  AC6 HCT 116 C85(0.82); C92(0.88)  LDD0640  [19]
 LDCM0324  AC60 HCT 116 C85(0.83); C92(0.84)  LDD0641  [19]
 LDCM0325  AC61 HCT 116 C92(1.09); C85(1.13)  LDD0642  [19]
 LDCM0326  AC62 HCT 116 C92(0.52); C85(0.53)  LDD0643  [19]
 LDCM0327  AC63 HCT 116 C92(1.14); C85(1.14)  LDD0644  [19]
 LDCM0328  AC64 HCT 116 C85(0.48); C92(0.51)  LDD0645  [19]
 LDCM0329  AC65 HCT 116 C85(0.57); C92(0.58)  LDD0646  [19]
 LDCM0330  AC66 HCT 116 C92(0.52); C85(0.53)  LDD0647  [19]
 LDCM0331  AC67 HCT 116 C92(0.46); C85(0.48)  LDD0648  [19]
 LDCM0332  AC68 HCT 116 C92(1.17); C85(1.25)  LDD0649  [19]
 LDCM0333  AC69 HCT 116 C92(1.02); C85(1.13)  LDD0650  [19]
 LDCM0334  AC7 HCT 116 C85(0.75); C92(0.78)  LDD0651  [19]
 LDCM0335  AC70 HCT 116 C85(1.11); C92(1.12)  LDD0652  [19]
 LDCM0336  AC71 HCT 116 C92(1.02); C85(1.09)  LDD0653  [19]
 LDCM0337  AC72 HCT 116 C92(1.07); C85(1.08)  LDD0654  [19]
 LDCM0338  AC73 HCT 116 C92(1.06); C85(1.10)  LDD0655  [19]
 LDCM0339  AC74 HCT 116 C92(0.79); C85(0.84)  LDD0656  [19]
 LDCM0340  AC75 HCT 116 C92(0.98); C85(1.01)  LDD0657  [19]
 LDCM0341  AC76 HCT 116 C92(0.92); C85(1.03)  LDD0658  [19]
 LDCM0342  AC77 HCT 116 C92(1.12); C85(1.17)  LDD0659  [19]
 LDCM0343  AC78 HCT 116 C92(1.14); C85(1.16)  LDD0660  [19]
 LDCM0344  AC79 HCT 116 C92(1.08); C85(1.15)  LDD0661  [19]
 LDCM0345  AC8 HCT 116 C85(0.93); C92(1.00)  LDD0662  [19]
 LDCM0346  AC80 HCT 116 C92(0.95); C85(1.09)  LDD0663  [19]
 LDCM0347  AC81 HCT 116 C92(1.03); C85(1.14)  LDD0664  [19]
 LDCM0348  AC82 HCT 116 C92(0.94); C85(0.98)  LDD0665  [19]
 LDCM0349  AC83 HCT 116 C92(0.42); C85(0.49)  LDD0666  [19]
 LDCM0350  AC84 HCT 116 C92(0.37); C85(0.40)  LDD0667  [19]
 LDCM0351  AC85 HCT 116 C92(0.72); C85(0.73)  LDD0668  [19]
 LDCM0352  AC86 HCT 116 C92(0.84); C85(0.88)  LDD0669  [19]
 LDCM0353  AC87 HCT 116 C92(1.03); C85(1.10)  LDD0670  [19]
 LDCM0354  AC88 HCT 116 C92(1.03); C85(1.08)  LDD0671  [19]
 LDCM0355  AC89 HCT 116 C92(0.66); C85(0.69)  LDD0672  [19]
 LDCM0357  AC90 HCT 116 C92(1.12); C85(1.18)  LDD0674  [19]
 LDCM0358  AC91 HCT 116 C92(0.51); C85(0.52)  LDD0675  [19]
 LDCM0359  AC92 HCT 116 C92(0.54); C85(0.57)  LDD0676  [19]
 LDCM0360  AC93 HCT 116 C92(1.22); C85(1.25)  LDD0677  [19]
 LDCM0361  AC94 HCT 116 C92(1.20); C85(1.26)  LDD0678  [19]
 LDCM0362  AC95 HCT 116 C92(1.01); C85(1.10)  LDD0679  [19]
 LDCM0363  AC96 HCT 116 C92(0.69); C85(0.71)  LDD0680  [19]
 LDCM0364  AC97 HCT 116 C92(0.62); C85(0.65)  LDD0681  [19]
 LDCM0365  AC98 HCT 116 C92(0.74); C85(0.86)  LDD0682  [19]
 LDCM0366  AC99 HCT 116 C92(0.69); C85(0.74)  LDD0683  [19]
 LDCM0545  Acetamide MDA-MB-231 C92(0.86); C85(0.67)  LDD2138  [9]
 LDCM0520  AKOS000195272 MDA-MB-231 C92(1.09); C85(1.09)  LDD2113  [9]
 LDCM0248  AKOS034007472 HCT 116 C85(1.11); C92(1.13)  LDD0565  [19]
 LDCM0356  AKOS034007680 HCT 116 C85(1.04); C92(1.10)  LDD0673  [19]
 LDCM0275  AKOS034007705 HCT 116 C85(0.49); C92(0.61)  LDD0592  [19]
 LDCM0020  ARS-1620 HCC44 C92(1.14); C57(1.04); C60(0.94); C85(0.93)  LDD0078  [19]
 LDCM0498  BS-3668 MDA-MB-231 C92(0.95); C85(1.02)  LDD2091  [9]
 LDCM0088  C45 HEK-293T 18.04  LDD0202  [13]
 LDCM0630  CCW28-3 231MFP C57(1.65)  LDD2214  [39]
 LDCM0108  Chloroacetamide HeLa C244(0.00); H168(0.00); H309(0.00); C85(0.00)  LDD0222  [34]
 LDCM0367  CL1 HCT 116 C85(0.77); C92(0.78)  LDD0684  [19]
 LDCM0368  CL10 HCT 116 C92(0.34); C85(0.36)  LDD0685  [19]
 LDCM0369  CL100 HCT 116 C92(0.87); C85(0.88)  LDD0686  [19]
 LDCM0370  CL101 HCT 116 C85(0.59); C92(0.70)  LDD0687  [19]
 LDCM0371  CL102 HCT 116 C85(0.79); C92(0.84)  LDD0688  [19]
 LDCM0372  CL103 HCT 116 C92(0.82); C85(0.82)  LDD0689  [19]
 LDCM0373  CL104 HCT 116 C85(0.94); C92(0.95)  LDD0690  [19]
 LDCM0374  CL105 HCT 116 C85(0.73); C92(0.75)  LDD0691  [19]
 LDCM0375  CL106 HCT 116 C85(0.49); C92(0.50)  LDD0692  [19]
 LDCM0376  CL107 HCT 116 C85(0.58); C92(0.60)  LDD0693  [19]
 LDCM0377  CL108 HCT 116 C85(0.40); C92(0.42)  LDD0694  [19]
 LDCM0378  CL109 HCT 116 C85(0.89); C92(0.90)  LDD0695  [19]
 LDCM0379  CL11 HCT 116 C85(0.32); C92(0.32)  LDD0696  [19]
 LDCM0380  CL110 HCT 116 C85(0.48); C92(0.48)  LDD0697  [19]
 LDCM0381  CL111 HCT 116 C85(0.82); C92(0.84)  LDD0698  [19]
 LDCM0382  CL112 HCT 116 C92(0.94); C85(0.95)  LDD0699  [19]
 LDCM0383  CL113 HCT 116 C85(0.87); C92(0.87)  LDD0700  [19]
 LDCM0384  CL114 HCT 116 C85(0.85); C92(0.88)  LDD0701  [19]
 LDCM0385  CL115 HCT 116 C92(0.82); C85(0.82)  LDD0702  [19]
 LDCM0386  CL116 HCT 116 C85(1.00); C92(1.05)  LDD0703  [19]
 LDCM0387  CL117 HCT 116 C85(0.45); C92(0.45)  LDD0704  [19]
 LDCM0388  CL118 HCT 116 C85(0.92); C92(0.92)  LDD0705  [19]
 LDCM0389  CL119 HCT 116 C85(0.88); C92(0.88)  LDD0706  [19]
 LDCM0390  CL12 HCT 116 C85(0.48); C92(0.48)  LDD0707  [19]
 LDCM0391  CL120 HCT 116 C85(1.19); C92(1.19)  LDD0708  [19]
 LDCM0392  CL121 HCT 116 C85(0.99); C92(0.99)  LDD0709  [19]
 LDCM0393  CL122 HCT 116 C85(0.42); C92(0.42)  LDD0710  [19]
 LDCM0394  CL123 HCT 116 C85(0.23); C92(0.23)  LDD0711  [19]
 LDCM0395  CL124 HCT 116 C85(0.50); C92(0.50)  LDD0712  [19]
 LDCM0396  CL125 HCT 116 C85(1.39); C92(1.39)  LDD0713  [19]
 LDCM0397  CL126 HCT 116 C85(0.76); C92(0.79)  LDD0714  [19]
 LDCM0398  CL127 HCT 116 C92(1.16); C85(1.17)  LDD0715  [19]
 LDCM0399  CL128 HCT 116 C92(0.68); C85(0.70)  LDD0716  [19]
 LDCM0400  CL13 HCT 116 C85(0.69); C92(0.72)  LDD0717  [19]
 LDCM0401  CL14 HCT 116 C85(0.60); C92(0.62)  LDD0718  [19]
 LDCM0402  CL15 HCT 116 C85(0.47); C92(0.48)  LDD0719  [19]
 LDCM0403  CL16 HCT 116 C85(0.98); C92(1.20)  LDD0720  [19]
 LDCM0404  CL17 HCT 116 C85(0.60); C92(0.67)  LDD0721  [19]
 LDCM0405  CL18 HCT 116 C85(1.06); C92(1.17)  LDD0722  [19]
 LDCM0406  CL19 HCT 116 C85(0.77); C92(1.01)  LDD0723  [19]
 LDCM0407  CL2 HCT 116 C85(1.06); C92(1.06)  LDD0724  [19]
 LDCM0408  CL20 HCT 116 C85(0.71); C92(0.86)  LDD0725  [19]
 LDCM0409  CL21 HCT 116 C85(0.42); C92(0.52)  LDD0726  [19]
 LDCM0410  CL22 HCT 116 C85(0.47); C92(0.53)  LDD0727  [19]
 LDCM0411  CL23 HCT 116 C85(0.92); C92(1.27)  LDD0728  [19]
 LDCM0412  CL24 HCT 116 C85(0.72); C92(0.88)  LDD0729  [19]
 LDCM0413  CL25 HCT 116 C85(0.38); C92(0.46)  LDD0730  [19]
 LDCM0414  CL26 HCT 116 C85(0.87); C92(0.92)  LDD0731  [19]
 LDCM0415  CL27 HCT 116 C85(0.89); C92(0.94)  LDD0732  [19]
 LDCM0416  CL28 HCT 116 C85(0.50); C92(0.57)  LDD0733  [19]
 LDCM0417  CL29 HCT 116 C85(0.76); C92(0.87)  LDD0734  [19]
 LDCM0418  CL3 HCT 116 C85(0.86); C92(0.85)  LDD0735  [19]
 LDCM0419  CL30 HCT 116 C85(0.97); C92(0.98)  LDD0736  [19]
 LDCM0420  CL31 HCT 116 C85(0.62); C92(0.72)  LDD0737  [19]
 LDCM0421  CL32 HCT 116 C85(0.71); C92(0.78)  LDD0738  [19]
 LDCM0422  CL33 HCT 116 C85(0.40); C92(0.45)  LDD0739  [19]
 LDCM0423  CL34 HCT 116 C85(0.58); C92(0.64)  LDD0740  [19]
 LDCM0424  CL35 HCT 116 C85(0.96); C92(1.04)  LDD0741  [19]
 LDCM0425  CL36 HCT 116 C85(0.63); C92(0.68)  LDD0742  [19]
 LDCM0426  CL37 HCT 116 C85(0.80); C92(0.83)  LDD0743  [19]
 LDCM0428  CL39 HCT 116 C85(0.74); C92(0.79)  LDD0745  [19]
 LDCM0429  CL4 HCT 116 C85(0.52); C92(0.53)  LDD0746  [19]
 LDCM0430  CL40 HCT 116 C85(0.69); C92(0.73)  LDD0747  [19]
 LDCM0431  CL41 HCT 116 C85(0.88); C92(0.90)  LDD0748  [19]
 LDCM0432  CL42 HCT 116 C85(0.82); C92(0.90)  LDD0749  [19]
 LDCM0433  CL43 HCT 116 C85(1.00); C92(1.07)  LDD0750  [19]
 LDCM0434  CL44 HCT 116 C85(0.80); C92(0.84)  LDD0751  [19]
 LDCM0435  CL45 HCT 116 C85(0.67); C92(0.70)  LDD0752  [19]
 LDCM0436  CL46 HCT 116 C85(1.72); C92(1.72)  LDD0753  [19]
 LDCM0437  CL47 HCT 116 C85(1.52); C92(1.52)  LDD0754  [19]
 LDCM0438  CL48 HCT 116 C85(1.86); C92(1.88)  LDD0755  [19]
 LDCM0439  CL49 HCT 116 C85(1.40); C92(1.42)  LDD0756  [19]
 LDCM0440  CL5 HCT 116 C85(0.94); C92(0.93)  LDD0757  [19]
 LDCM0441  CL50 HCT 116 C85(1.38); C92(1.40)  LDD0758  [19]
 LDCM0442  CL51 HCT 116 C85(1.95); C92(1.96)  LDD0759  [19]
 LDCM0443  CL52 HCT 116 C85(1.91); C92(1.92)  LDD0760  [19]
 LDCM0444  CL53 HCT 116 C85(2.07); C92(2.08)  LDD0761  [19]
 LDCM0445  CL54 HCT 116 C85(1.18); C92(1.18)  LDD0762  [19]
 LDCM0446  CL55 HCT 116 C85(1.77); C92(1.78)  LDD0763  [19]
 LDCM0447  CL56 HCT 116 C85(1.11); C92(1.10)  LDD0764  [19]
 LDCM0448  CL57 HCT 116 C85(0.96); C92(0.96)  LDD0765  [19]
 LDCM0449  CL58 HCT 116 C85(2.02); C92(2.02)  LDD0766  [19]
 LDCM0450  CL59 HCT 116 C85(1.53); C92(1.53)  LDD0767  [19]
 LDCM0451  CL6 HCT 116 C85(0.79); C92(0.79)  LDD0768  [19]
 LDCM0452  CL60 HCT 116 C85(1.27); C92(1.26)  LDD0769  [19]
 LDCM0453  CL61 HCT 116 C85(0.96); C92(0.85)  LDD0770  [19]
 LDCM0454  CL62 HCT 116 C85(0.84); C92(0.81)  LDD0771  [19]
 LDCM0455  CL63 HCT 116 C85(0.72); C92(0.75)  LDD0772  [19]
 LDCM0456  CL64 HCT 116 C85(0.73); C92(0.64)  LDD0773  [19]
 LDCM0457  CL65 HCT 116 C85(0.80); C92(0.73)  LDD0774  [19]
 LDCM0458  CL66 HCT 116 C85(0.37); C92(0.42)  LDD0775  [19]
 LDCM0459  CL67 HCT 116 C85(0.88); C92(0.67)  LDD0776  [19]
 LDCM0460  CL68 HCT 116 C85(0.81); C92(0.77)  LDD0777  [19]
 LDCM0461  CL69 HCT 116 C85(0.79); C92(0.75)  LDD0778  [19]
 LDCM0462  CL7 HCT 116 C85(0.51); C92(0.52)  LDD0779  [19]
 LDCM0463  CL70 HCT 116 C85(0.93); C92(0.81)  LDD0780  [19]
 LDCM0464  CL71 HCT 116 C85(0.92); C92(0.84)  LDD0781  [19]
 LDCM0465  CL72 HCT 116 C85(1.17); C92(0.97)  LDD0782  [19]
 LDCM0466  CL73 HCT 116 C85(0.54); C92(0.59)  LDD0783  [19]
 LDCM0467  CL74 HCT 116 C85(0.90); C92(0.77)  LDD0784  [19]
 LDCM0469  CL76 HCT 116 C85(0.86); C92(0.80)  LDD0786  [19]
 LDCM0470  CL77 HCT 116 C85(0.53); C92(0.59)  LDD0787  [19]
 LDCM0471  CL78 HCT 116 C85(0.74); C92(0.76)  LDD0788  [19]
 LDCM0472  CL79 HCT 116 C85(0.56); C92(0.52)  LDD0789  [19]
 LDCM0473  CL8 HCT 116 C85(0.25); C92(0.26)  LDD0790  [19]
 LDCM0474  CL80 HCT 116 C85(0.86); C92(0.85)  LDD0791  [19]
 LDCM0475  CL81 HCT 116 C85(0.67); C92(0.64)  LDD0792  [19]
 LDCM0476  CL82 HCT 116 C85(0.39); C92(0.37)  LDD0793  [19]
 LDCM0477  CL83 HCT 116 C85(0.31); C92(0.33)  LDD0794  [19]
 LDCM0478  CL84 HCT 116 C85(0.31); C92(0.30)  LDD0795  [19]
 LDCM0479  CL85 HCT 116 C85(0.79); C92(0.70)  LDD0796  [19]
 LDCM0480  CL86 HCT 116 C85(0.96); C92(0.90)  LDD0797  [19]
 LDCM0481  CL87 HCT 116 C85(0.47); C92(0.40)  LDD0798  [19]
 LDCM0482  CL88 HCT 116 C85(0.53); C92(0.46)  LDD0799  [19]
 LDCM0483  CL89 HCT 116 C85(0.34); C92(0.33)  LDD0800  [19]
 LDCM0484  CL9 HCT 116 C85(0.65); C92(0.65)  LDD0801  [19]
 LDCM0485  CL90 HCT 116 C85(0.33); C92(0.34)  LDD0802  [19]
 LDCM0486  CL91 HCT 116 C85(0.96); C92(0.90)  LDD0803  [19]
 LDCM0487  CL92 HCT 116 C85(0.63); C92(0.62)  LDD0804  [19]
 LDCM0488  CL93 HCT 116 C85(0.65); C92(0.62)  LDD0805  [19]
 LDCM0489  CL94 HCT 116 C85(0.77); C92(0.74)  LDD0806  [19]
 LDCM0490  CL95 HCT 116 C85(0.70); C92(0.72)  LDD0807  [19]
 LDCM0491  CL96 HCT 116 C85(0.93); C92(0.94)  LDD0808  [19]
 LDCM0492  CL97 HCT 116 C85(0.69); C92(0.70)  LDD0809  [19]
 LDCM0493  CL98 HCT 116 C85(0.75); C92(0.74)  LDD0810  [19]
 LDCM0494  CL99 HCT 116 C85(0.97); C92(0.97)  LDD0811  [19]
 LDCM0495  E2913 HEK-293T C244(1.00); C57(7.29); C92(0.83); C85(0.82)  LDD1698  [40]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C92(0.34); C85(0.33)  LDD1702  [9]
 LDCM0625  F8 Ramos C244(1.39)  LDD2187  [41]
 LDCM0572  Fragment10 MDA-MB-231 C406(13.10)  LDD1389  [42]
 LDCM0573  Fragment11 MDA-MB-231 C406(20.00)  LDD1391  [42]
 LDCM0574  Fragment12 Ramos C406(2.56)  LDD1394  [42]
 LDCM0575  Fragment13 MDA-MB-231 C406(2.06)  LDD1395  [42]
 LDCM0576  Fragment14 MDA-MB-231 C406(0.99)  LDD1397  [42]
 LDCM0577  Fragment15 MDA-MB-231 C406(0.70)  LDD1399  [42]
 LDCM0579  Fragment20 MDA-MB-231 C406(1.86)  LDD1402  [42]
 LDCM0580  Fragment21 MDA-MB-231 C406(1.80)  LDD1404  [42]
 LDCM0581  Fragment22 MDA-MB-231 C406(1.93)  LDD1406  [42]
 LDCM0582  Fragment23 MDA-MB-231 C406(0.91)  LDD1408  [42]
 LDCM0583  Fragment24 Ramos C406(1.32)  LDD1410  [42]
 LDCM0584  Fragment25 MDA-MB-231 C406(0.96)  LDD1411  [42]
 LDCM0585  Fragment26 Ramos C406(0.77)  LDD1412  [42]
 LDCM0578  Fragment27 MDA-MB-231 C406(0.80)  LDD1401  [42]
 LDCM0586  Fragment28 MDA-MB-231 C406(1.19)  LDD1415  [42]
 LDCM0587  Fragment29 MDA-MB-231 C406(0.89)  LDD1417  [42]
 LDCM0588  Fragment30 MDA-MB-231 C406(2.90)  LDD1419  [42]
 LDCM0589  Fragment31 MDA-MB-231 C406(0.96)  LDD1421  [42]
 LDCM0590  Fragment32 MDA-MB-231 C406(20.00)  LDD1423  [42]
 LDCM0468  Fragment33 HCT 116 C85(0.78); C92(0.71)  LDD0785  [19]
 LDCM0592  Fragment34 MDA-MB-231 C406(0.67)  LDD1427  [42]
 LDCM0593  Fragment35 MDA-MB-231 C406(0.88)  LDD1429  [42]
 LDCM0595  Fragment37 Ramos C406(0.92)  LDD1432  [42]
 LDCM0596  Fragment38 MDA-MB-231 C406(1.14)  LDD1433  [42]
 LDCM0597  Fragment39 MDA-MB-231 C406(3.14)  LDD1435  [42]
 LDCM0566  Fragment4 MDA-MB-231 C406(1.31)  LDD1378  [42]
 LDCM0598  Fragment40 MDA-MB-231 C406(0.74)  LDD1436  [42]
 LDCM0599  Fragment41 MDA-MB-231 C406(0.99)  LDD1438  [42]
 LDCM0600  Fragment42 Ramos C406(0.89)  LDD1440  [42]
 LDCM0601  Fragment43 MDA-MB-231 C406(20.00)  LDD1441  [42]
 LDCM0602  Fragment44 MDA-MB-231 C406(0.94)  LDD1443  [42]
 LDCM0603  Fragment45 MDA-MB-231 C406(2.55); C57(2.57)  LDD1482  [42]
 LDCM0604  Fragment46 MDA-MB-231 C406(0.92)  LDD1445  [42]
 LDCM0605  Fragment47 MDA-MB-231 C406(0.93)  LDD1446  [42]
 LDCM0608  Fragment50 MDA-MB-231 C406(1.51)  LDD1449  [42]
 LDCM0427  Fragment51 HCT 116 C85(0.56); C92(0.58)  LDD0744  [19]
 LDCM0610  Fragment52 MDA-MB-231 C406(1.01)  LDD1452  [42]
 LDCM0611  Fragment53 MDA-MB-231 C406(0.93)  LDD1454  [42]
 LDCM0612  Fragment54 MDA-MB-231 C406(1.12)  LDD1456  [42]
 LDCM0614  Fragment56 MDA-MB-231 C406(0.98)  LDD1458  [42]
 LDCM0568  Fragment6 MDA-MB-231 C406(1.05)  LDD1382  [42]
 LDCM0569  Fragment7 MDA-MB-231 C406(0.85)  LDD1383  [42]
 LDCM0570  Fragment8 MDA-MB-231 C406(12.79)  LDD1385  [42]
 LDCM0571  Fragment9 MDA-MB-231 C406(0.88)  LDD1387  [42]
 LDCM0116  HHS-0101 DM93 Y100(0.90); Y416(0.96)  LDD0264  [17]
 LDCM0117  HHS-0201 DM93 Y100(0.75); Y416(0.81)  LDD0265  [17]
 LDCM0118  HHS-0301 DM93 Y100(0.76); Y416(1.08)  LDD0266  [17]
 LDCM0119  HHS-0401 DM93 Y100(0.75); Y416(0.91)  LDD0267  [17]
 LDCM0120  HHS-0701 DM93 Y100(0.56); Y416(1.12)  LDD0268  [17]
 LDCM0107  IAA HeLa H309(0.00); C244(0.00); C85(0.00); H168(0.00)  LDD0221  [34]
 LDCM0123  JWB131 DM93 Y100(0.90); Y222(0.98); Y67(1.17); Y95(0.65)  LDD0285  [16]
 LDCM0124  JWB142 DM93 Y100(0.86); Y222(0.69); Y67(0.70); Y95(0.56)  LDD0286  [16]
 LDCM0125  JWB146 DM93 Y100(0.94); Y222(0.82); Y67(0.96); Y95(0.67)  LDD0287  [16]
 LDCM0126  JWB150 DM93 Y100(3.76); Y222(4.76); Y67(5.99); Y95(2.39)  LDD0288  [16]
 LDCM0127  JWB152 DM93 Y100(2.04); Y222(3.12); Y67(3.06); Y95(2.53)  LDD0289  [16]
 LDCM0128  JWB198 DM93 Y100(1.38); Y222(1.97); Y67(1.97); Y95(0.21)  LDD0290  [16]
 LDCM0129  JWB202 DM93 Y100(0.80); Y222(0.86); Y67(1.19); Y95(0.85)  LDD0291  [16]
 LDCM0130  JWB211 DM93 Y100(0.98); Y222(1.12); Y67(0.73); Y95(0.27)  LDD0292  [16]
 LDCM0179  JZ128 PC-3 C244(0.00); C92(0.00); C85(0.00)  LDD0462  [14]
 LDCM0022  KB02 HCT 116 C57(6.08)  LDD0080  [19]
 LDCM0023  KB03 HCT 116 C57(8.99)  LDD0081  [19]
 LDCM0024  KB05 HCT 116 C57(1.12)  LDD0082  [19]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C92(0.58)  LDD2102  [9]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C92(0.93); C85(1.06)  LDD2121  [9]
 LDCM0109  NEM HeLa H309(0.00); C85(0.00); H127(0.00); H186(0.00)  LDD0223  [34]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C92(0.86); C85(1.02); C244(1.01)  LDD2089  [9]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C244(0.76)  LDD2092  [9]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C92(0.88); C85(0.83)  LDD2093  [9]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C244(0.30)  LDD2096  [9]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C92(1.08); C85(1.02)  LDD2097  [9]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C92(0.44); C85(0.51); C244(0.41)  LDD2098  [9]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C92(0.56); C85(0.70); C244(0.75)  LDD2099  [9]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C92(0.60); C85(0.49); C244(0.57)  LDD2100  [9]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C92(2.41); C85(2.30)  LDD2101  [9]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C244(0.64)  LDD2104  [9]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C92(1.34); C85(1.39)  LDD2105  [9]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C244(0.39)  LDD2106  [9]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C92(0.70); C85(0.80); C244(0.76)  LDD2107  [9]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C92(0.93); C85(1.42); C244(0.68)  LDD2108  [9]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C85(0.98); C244(0.65)  LDD2109  [9]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C92(0.35); C244(0.71)  LDD2110  [9]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C92(0.66); C85(0.86); C244(0.96)  LDD2111  [9]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C92(0.64); C85(1.23)  LDD2114  [9]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C92(0.65); C85(0.67)  LDD2115  [9]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C244(0.59)  LDD2116  [9]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C244(0.54)  LDD2118  [9]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C92(1.12); C244(0.93)  LDD2120  [9]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C244(0.67)  LDD2122  [9]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C92(0.49); C85(0.58); C244(0.70)  LDD2123  [9]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C244(0.50)  LDD2124  [9]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C92(0.51); C85(0.62); C244(0.83)  LDD2125  [9]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C244(0.46)  LDD2126  [9]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C92(0.86); C85(1.00); C244(0.84)  LDD2127  [9]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C244(1.44)  LDD2128  [9]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C92(0.61); C85(0.63)  LDD2129  [9]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C92(0.93); C85(0.83)  LDD2133  [9]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C92(0.71); C85(0.73)  LDD2134  [9]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C92(0.62); C85(0.89); C244(0.51)  LDD2135  [9]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C92(0.96); C85(1.05)  LDD2136  [9]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C92(0.85); C85(0.97); C244(0.74)  LDD2137  [9]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C85(1.39); C92(1.02)  LDD1700  [9]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C92(0.47); C85(0.59)  LDD2140  [9]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C92(0.80); C85(0.78); C244(0.53)  LDD2141  [9]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C92(3.13); C85(2.75)  LDD2144  [9]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C92(0.56); C85(0.69)  LDD2146  [9]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C92(0.77); C85(0.67)  LDD2148  [9]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C244(0.57)  LDD2149  [9]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C92(1.03); C85(0.57)  LDD2150  [9]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C244(0.65)  LDD2151  [9]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C244(1.70)  LDD2153  [9]
 LDCM0628  OTUB2-COV-1 HEK-293T C57(0.41)  LDD2207  [43]
 LDCM0131  RA190 MM1.R C57(1.22); C60(1.22)  LDD0304  [44]
 LDCM0111  W14 Hep-G2 Q424(0.65); Q126(0.69)  LDD0238  [6]
 LDCM0112  W16 Hep-G2 C409(1.33); C406(1.38)  LDD0239  [6]

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
Antigen peptide transporter 1 (TAP1) ABCB family Q03518
ERO1-like protein alpha (ERO1A) EROs family Q96HE7
ERO1-like protein beta (ERO1B) EROs family Q86YB8
Peroxiredoxin-4 (PRDX4) Peroxiredoxin family Q13162
Protein disulfide-isomerase A3 (PDIA3) Protein disulfide isomerase family P30101
Transporter and channel
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Amyloid-beta precursor protein (APP) APP family P05067
Stromal interaction molecule 1 (STIM1) . Q13586
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Clusterin (CLU) Clusterin family P10909

The Drug(s) Related To This Target

Approved
Click To Hide/Show 5 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Copper . DB09130
Zinc . DB01593
Zinc Acetate . DB14487
Zinc Chloride . DB14533
Zinc Sulfate Unspecified Form . DB14548

References

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3 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
4 Proteome-Wide Profiling of Cellular Targets Modified by Dopamine Metabolites Using a Bio-Orthogonally Functionalized Catecholamine. ACS Chem Biol. 2021 Nov 19;16(11):2581-2594. doi: 10.1021/acschembio.1c00629. Epub 2021 Nov 2.
5 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.
6 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.
7 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.
8 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.
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Mass spectrometry data entry: PXD039908 , PXD029761
10 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
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Mass spectrometry data entry: PXD042888
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15 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
16 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.
17 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.
18 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.
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20 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
21 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.
22 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
23 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
24 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
25 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
26 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
27 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
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29 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
30 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
31 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
32 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
33 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
34 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.
35 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.
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37 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.
38 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.
39 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.
40 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
41 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
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