Details of the Target

General Information of Target

Target ID LDTP10386
Target Name ERO1-like protein alpha (ERO1A)
Gene Name ERO1A
Gene ID 30001
Synonyms
ERO1L; ERO1-like protein alpha; ERO1-L; ERO1-L-alpha; EC 1.8.4.-; Endoplasmic oxidoreductin-1-like protein; Endoplasmic reticulum oxidoreductase alpha; Oxidoreductin-1-L-alpha
3D Structure
Download
2D Sequence (FASTA)
Download
3D Structure (PDB)
Download
Sequence
MCSLPVPREPLRRVAVTGGTHGNEMSGVYLARHWLHAPAELQRASFSAVPVLANPAATSG
CRRYVDHDLNRTFTSSFLNSRPTPDDPYEVTRARELNQLLGPKASGQAFDFVLDLHNTTA
NMGTCLIAKSSHEVFAMHLCRHLQLQYPELSCQVFLYQRSGEESYNLDSVAKNGLGLELG
PQPQGVLRADIFSRMRTLVATVLDFIELFNQGTAFPAFEMEAYRPVGVVDFPRTEAGHLA
GTVHPQLQDRDFQPLQPGAPIFQMFSGEDLLYEGESTVYPVFINEAAYYEKGVAFVQTEK
FTFTVPAMPALTPAPSPAS
Target Bioclass
Enzyme
Family
EROs family
Subcellular location
Endoplasmic reticulum membrane
Function
Oxidoreductase involved in disulfide bond formation in the endoplasmic reticulum. Efficiently reoxidizes P4HB/PDI, the enzyme catalyzing protein disulfide formation, in order to allow P4HB to sustain additional rounds of disulfide formation. Following P4HB reoxidation, passes its electrons to molecular oxygen via FAD, leading to the production of reactive oxygen species (ROS) in the cell. Required for the proper folding of immunoglobulins. Plays an important role in ER stress-induced, CHOP-dependent apoptosis by activating the inositol 1,4,5-trisphosphate receptor IP3R1. Involved in the release of the unfolded cholera toxin from reduced P4HB/PDI in case of infection by V.cholerae, thereby playing a role in retrotranslocation of the toxin.
Uniprot ID
Q96HE7
Ensemble ID
ENST00000395686.8
HGNC ID
HGNC:13280
ChEMBL ID
CHEMBL1671609

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 42 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
DA-P2
 Probe Info  		4.73  LDD0348  [2]
CY-1
 Probe Info  		100.00  LDD0243  [3]
CY4
 Probe Info  		100.00  LDD0244  [3]
SAA-alkyne
 Probe Info  		1.08  LDD0252  [4]
TH211
 Probe Info  		Y266(8.94); Y120(6.46)  LDD0257  [5]
YN-1
 Probe Info  		100.00  LDD0444  [6]
ONAyne
 Probe Info  		K375(1.14); K455(10.00)  LDD0274  [7]
STPyne
 Probe Info  		K210(0.92); K275(8.74); K375(4.21); K455(10.00)  LDD0277  [7]
P12
 Probe Info  		11.74  LDD0202  [8]
JZ128-DTB
 Probe Info  		C241(0.00); C131(0.00); C166(0.00)  LDD0462  [9]
BTD
 Probe Info  		C99(0.68)  LDD2089  [10]
Johansson_61
 Probe Info  		_(7.07)  LDD1485  [11]
AHL-Pu-1
 Probe Info  		C241(2.81); C391(4.88)  LDD0170  [12]
EA-probe
 Probe Info  		N.A.  LDD0440  [13]
HHS-482
 Probe Info  		Y120(2.09); Y431(1.63)  LDD0285  [14]
HHS-475
 Probe Info  		Y120(0.70)  LDD0264  [15]
DBIA
 Probe Info  		C94(1.01); C166(1.00); C391(0.89); C394(0.89)  LDD0078  [16]
5E-2FA
 Probe Info  		H434(0.00); H349(0.00); H357(0.00)  LDD2235  [17]
4-Iodoacetamidophenylacetylene
 Probe Info  		C166(0.00); C208(0.00); C241(0.00); C131(0.00)  LDD0038  [18]
IA-alkyne
 Probe Info  		C131(0.00); C166(0.00)  LDD0032  [19]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [20]
IPIAA_L
 Probe Info  		C208(0.00); C241(0.00); C131(0.00)  LDD0031  [20]
Lodoacetamide azide
 Probe Info  		C166(0.00); C391(0.00); C394(0.00); C208(0.00)  LDD0037  [18]
JW-RF-010
 Probe Info  		C131(0.00); C166(0.00)  LDD0026  [21]
NAIA_4
 Probe Info  		C99(0.00); C131(0.00); C166(0.00); C208(0.00)  LDD2226  [22]
1d-yne
 Probe Info  		N.A.  LDD0356  [23]
Compound 10
 Probe Info  		N.A.  LDD2216  [24]
ENE
 Probe Info  		N.A.  LDD0006  [25]
IPM
 Probe Info  		C99(0.00); C104(0.00)  LDD0005  [25]
TFBX
 Probe Info  		N.A.  LDD0148  [21]
VSF
 Probe Info  		C99(0.00); C104(0.00)  LDD0007  [25]
Phosphinate-6
 Probe Info  		C104(0.00); C241(0.00); C99(0.00); C166(0.00)  LDD0018  [26]
Ox-W18
 Probe Info  		W197(0.00); W236(0.00)  LDD2175  [27]
1c-yne
 Probe Info  		K419(0.00); K244(0.00)  LDD0228  [23]
Acrolein
 Probe Info  		C166(0.00); C131(0.00); H468(0.00); C208(0.00)  LDD0217  [28]
Crotonaldehyde
 Probe Info  		C131(0.00); H468(0.00)  LDD0219  [28]
Methacrolein
 Probe Info  		C131(0.00); C104(0.00)  LDD0218  [28]
W1
 Probe Info  		N.A.  LDD0236  [29]
AOyne
 Probe Info  		15.00  LDD0443  [30]
NAIA_5
 Probe Info  		C166(0.00); C208(0.00); C131(0.00); C94(0.00)  LDD2223  [22]
HHS-465
 Probe Info  		N.A.  LDD2240  [31]
PAL-AfBPP Probe
Click To Hide/Show 11 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C322
 Probe Info  		5.90  LDD1988  [32]
C429
 Probe Info  		11.63  LDD2084  [32]
FFF probe11
 Probe Info  		8.59  LDD0471  [33]
FFF probe13
 Probe Info  		14.63  LDD0475  [33]
FFF probe14
 Probe Info  		20.00  LDD0477  [33]
FFF probe2
 Probe Info  		20.00  LDD0463  [33]
FFF probe3
 Probe Info  		12.75  LDD0464  [33]
JN0003
 Probe Info  		10.04  LDD0469  [33]
STS-1
 Probe Info  		N.A.  LDD0136  [34]
STS-2
 Probe Info  		N.A.  LDD0139  [34]
OEA-DA
 Probe Info  		3.75  LDD0046  [35]

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 C99(0.58); C85(0.98); C104(0.89); C131(0.72)  LDD2142  [10]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C85(0.98); C104(0.86)  LDD2112  [10]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C391(1.31); C99(0.90)  LDD2152  [10]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C99(0.90); C85(1.24)  LDD2103  [10]
 LDCM0025  4SU-RNA DM93 C241(2.81); C391(4.88)  LDD0170  [12]
 LDCM0026  4SU-RNA+native RNA DM93 C131(2.88)  LDD0171  [12]
 LDCM0214  AC1 HCT 116 C35(0.97); C104(1.11); C131(0.77); C166(0.70)  LDD0531  [16]
 LDCM0215  AC10 HCT 116 C35(1.54); C104(1.47); C131(1.10); C208(1.12)  LDD0532  [16]
 LDCM0216  AC100 HCT 116 C35(0.74); C104(1.00); C241(0.84); C37(0.79)  LDD0533  [16]
 LDCM0217  AC101 HCT 116 C35(0.66); C104(1.04); C241(0.95); C37(0.88)  LDD0534  [16]
 LDCM0218  AC102 HCT 116 C35(0.75); C104(1.08); C241(0.87); C37(0.65)  LDD0535  [16]
 LDCM0219  AC103 HCT 116 C35(0.82); C104(1.34); C241(1.33); C37(0.79)  LDD0536  [16]
 LDCM0220  AC104 HCT 116 C35(0.87); C104(1.22); C241(1.47); C37(0.78)  LDD0537  [16]
 LDCM0221  AC105 HCT 116 C35(0.83); C104(1.25); C241(0.97); C37(0.80)  LDD0538  [16]
 LDCM0222  AC106 HCT 116 C35(0.85); C104(1.29); C241(1.27); C37(0.76)  LDD0539  [16]
 LDCM0223  AC107 HCT 116 C35(0.74); C104(1.23); C241(1.44); C37(0.66)  LDD0540  [16]
 LDCM0224  AC108 HCT 116 C35(0.76); C104(0.90); C241(0.74); C37(0.77)  LDD0541  [16]
 LDCM0225  AC109 HCT 116 C35(0.92); C104(0.95); C241(1.01); C37(0.79)  LDD0542  [16]
 LDCM0226  AC11 HCT 116 C35(1.51); C104(1.44); C131(1.12); C208(1.09)  LDD0543  [16]
 LDCM0227  AC110 HCT 116 C35(0.66); C104(0.94); C241(0.94); C37(0.68)  LDD0544  [16]
 LDCM0228  AC111 HCT 116 C35(0.78); C104(0.96); C241(0.98); C37(0.88)  LDD0545  [16]
 LDCM0229  AC112 HCT 116 C35(0.72); C104(1.18); C241(1.16); C37(0.69)  LDD0546  [16]
 LDCM0230  AC113 HCT 116 C35(1.06); C104(0.92); C166(1.17); C37(1.34)  LDD0547  [16]
 LDCM0231  AC114 HCT 116 C35(1.11); C104(1.01); C166(1.19); C37(1.07)  LDD0548  [16]
 LDCM0232  AC115 HCT 116 C35(1.22); C104(1.26); C166(1.16); C37(1.45)  LDD0549  [16]
 LDCM0233  AC116 HCT 116 C35(1.21); C104(1.28); C166(1.35); C37(1.31)  LDD0550  [16]
 LDCM0234  AC117 HCT 116 C35(1.22); C104(1.05); C166(1.44); C37(1.25)  LDD0551  [16]
 LDCM0235  AC118 HCT 116 C35(0.95); C104(1.16); C166(1.29); C37(0.96)  LDD0552  [16]
 LDCM0236  AC119 HCT 116 C35(1.05); C104(1.13); C166(1.11); C37(1.32)  LDD0553  [16]
 LDCM0237  AC12 HCT 116 C35(1.53); C104(1.12); C131(0.95); C208(1.09)  LDD0554  [16]
 LDCM0238  AC120 HCT 116 C35(0.96); C104(1.07); C166(1.22); C37(0.81)  LDD0555  [16]
 LDCM0239  AC121 HCT 116 C35(1.25); C104(1.07); C166(1.12); C37(1.27)  LDD0556  [16]
 LDCM0240  AC122 HCT 116 C35(1.03); C104(1.02); C166(1.28); C37(1.10)  LDD0557  [16]
 LDCM0241  AC123 HCT 116 C35(1.05); C104(0.96); C166(1.09); C37(1.25)  LDD0558  [16]
 LDCM0242  AC124 HCT 116 C35(1.04); C104(1.09); C166(1.15); C37(0.98)  LDD0559  [16]
 LDCM0243  AC125 HCT 116 C35(1.11); C104(0.95); C166(1.06); C37(1.38)  LDD0560  [16]
 LDCM0244  AC126 HCT 116 C35(1.33); C104(1.15); C166(1.19); C37(1.14)  LDD0561  [16]
 LDCM0245  AC127 HCT 116 C35(1.24); C104(1.19); C166(1.19); C37(1.24)  LDD0562  [16]
 LDCM0246  AC128 HCT 116 C35(1.43); C104(1.29); C37(1.08); C391(1.93)  LDD0563  [16]
 LDCM0247  AC129 HCT 116 C35(1.35); C104(0.81); C37(0.65); C391(1.67)  LDD0564  [16]
 LDCM0249  AC130 HCT 116 C35(0.99); C104(1.15); C37(1.09); C391(1.49)  LDD0566  [16]
 LDCM0250  AC131 HCT 116 C35(1.30); C104(1.03); C37(1.21); C391(1.49)  LDD0567  [16]
 LDCM0251  AC132 HCT 116 C35(0.87); C104(0.74); C37(1.15); C391(1.21)  LDD0568  [16]
 LDCM0252  AC133 HCT 116 C35(0.97); C104(1.15); C37(0.87); C391(1.40)  LDD0569  [16]
 LDCM0253  AC134 HCT 116 C35(0.71); C104(1.14); C37(1.43); C391(1.05)  LDD0570  [16]
 LDCM0254  AC135 HCT 116 C35(1.25); C104(1.13); C37(1.19); C391(1.85)  LDD0571  [16]
 LDCM0255  AC136 HCT 116 C35(0.97); C104(1.09); C37(0.79); C391(1.42)  LDD0572  [16]
 LDCM0256  AC137 HCT 116 C35(0.95); C104(1.03); C37(0.90); C391(1.72)  LDD0573  [16]
 LDCM0257  AC138 HCT 116 C35(0.62); C104(1.25); C37(1.01); C391(1.21)  LDD0574  [16]
 LDCM0258  AC139 HCT 116 C35(0.65); C104(1.07); C37(0.83); C391(1.03)  LDD0575  [16]
 LDCM0259  AC14 HCT 116 C35(1.81); C104(1.34); C131(1.19); C208(1.19)  LDD0576  [16]
 LDCM0260  AC140 HCT 116 C35(0.68); C104(1.07); C37(0.99); C391(1.06)  LDD0577  [16]
 LDCM0261  AC141 HCT 116 C35(0.65); C104(1.15); C37(1.11); C391(1.17)  LDD0578  [16]
 LDCM0262  AC142 HCT 116 C35(0.91); C104(0.91); C37(1.14); C391(1.57)  LDD0579  [16]
 LDCM0263  AC143 HCT 116 C35(1.18); C104(0.98); C166(0.97); C37(1.30)  LDD0580  [16]
 LDCM0264  AC144 HCT 116 C394(0.60); C391(0.79); C85(0.87); C35(1.04)  LDD0581  [16]
 LDCM0265  AC145 HCT 116 C394(0.81); C391(1.12); C37(1.14); C46(1.18)  LDD0582  [16]
 LDCM0266  AC146 HCT 116 C391(0.48); C394(0.71); C35(0.93); C85(0.99)  LDD0583  [16]
 LDCM0267  AC147 HCT 116 C394(0.59); C85(0.97); C391(1.02); C48(1.03)  LDD0584  [16]
 LDCM0268  AC148 HCT 116 C394(0.50); C391(0.63); C85(0.75); C94(1.12)  LDD0585  [16]
 LDCM0269  AC149 HCT 116 C394(0.57); C391(0.71); C35(0.87); C85(0.92)  LDD0586  [16]
 LDCM0270  AC15 HCT 116 C394(1.02); C131(1.03); C208(1.24); C85(1.28)  LDD0587  [16]
 LDCM0271  AC150 HCT 116 C391(0.75); C46(0.85); C394(0.89); C166(0.98)  LDD0588  [16]
 LDCM0272  AC151 HCT 116 C391(0.72); C394(0.92); C94(0.93); C37(1.16)  LDD0589  [16]
 LDCM0273  AC152 HCT 116 C394(0.52); C391(0.65); C35(1.03); C46(1.06)  LDD0590  [16]
 LDCM0274  AC153 HCT 116 C391(0.35); C394(0.49); C85(0.96); C35(1.10)  LDD0591  [16]
 LDCM0621  AC154 HCT 116 C35(1.31); C104(1.44); C166(0.98); C37(1.41)  LDD2158  [16]
 LDCM0622  AC155 HCT 116 C35(1.29); C104(1.53); C166(0.91); C37(1.24)  LDD2159  [16]
 LDCM0623  AC156 HCT 116 C35(1.22); C104(1.34); C166(1.26); C37(0.97)  LDD2160  [16]
 LDCM0624  AC157 HCT 116 C35(1.54); C104(1.18); C166(0.84); C37(1.11)  LDD2161  [16]
 LDCM0276  AC17 HCT 116 C94(0.91); C166(0.94); C394(0.97); C104(1.10)  LDD0593  [16]
 LDCM0277  AC18 HCT 116 C394(0.92); C94(0.93); C85(0.99); C48(1.04)  LDD0594  [16]
 LDCM0278  AC19 HCT 116 C94(1.10); C394(1.12); C37(1.16); C46(1.20)  LDD0595  [16]
 LDCM0279  AC2 HCT 116 C131(0.77); C85(0.82); C166(1.00); C241(1.03)  LDD0596  [16]
 LDCM0280  AC20 HCT 116 C394(0.91); C166(0.97); C48(1.05); C131(1.08)  LDD0597  [16]
 LDCM0281  AC21 HCT 116 C48(0.76); C94(0.92); C37(0.97); C85(1.00)  LDD0598  [16]
 LDCM0282  AC22 HCT 116 C394(0.95); C391(1.03); C94(1.04); C46(1.06)  LDD0599  [16]
 LDCM0283  AC23 HCT 116 C94(1.07); C166(1.18); C48(1.18); C104(1.23)  LDD0600  [16]
 LDCM0284  AC24 HCT 116 C131(0.76); C394(0.97); C166(1.00); C94(1.07)  LDD0601  [16]
 LDCM0285  AC25 HCT 116 C35(0.95); C37(0.97); C85(0.97); C104(0.99)  LDD0602  [16]
 LDCM0286  AC26 HCT 116 C85(0.85); C94(0.92); C131(0.94); C104(1.05)  LDD0603  [16]
 LDCM0287  AC27 HCT 116 C85(0.66); C94(0.76); C166(0.99); C104(1.04)  LDD0604  [16]
 LDCM0288  AC28 HCT 116 C85(0.73); C94(0.82); C394(0.95); C391(0.99)  LDD0605  [16]
 LDCM0289  AC29 HCT 116 C85(0.71); C391(0.72); C394(0.76); C94(0.96)  LDD0606  [16]
 LDCM0290  AC3 HCT 116 C99(1.00); C85(1.03); C208(1.03); C166(1.05)  LDD0607  [16]
 LDCM0291  AC30 HCT 116 C85(0.64); C391(0.72); C394(0.75); C131(0.91)  LDD0608  [16]
 LDCM0292  AC31 HCT 116 C85(0.75); C94(0.77); C391(0.98); C394(0.98)  LDD0609  [16]
 LDCM0293  AC32 HCT 116 C85(0.61); C94(0.82); C391(0.90); C394(0.93)  LDD0610  [16]
 LDCM0294  AC33 HCT 116 C85(0.72); C394(0.93); C94(0.96); C391(0.97)  LDD0611  [16]
 LDCM0295  AC34 HCT 116 C85(0.69); C394(0.76); C391(0.81); C37(1.00)  LDD0612  [16]
 LDCM0296  AC35 HCT 116 C35(0.77); C46(0.77); C37(0.85); C94(0.88)  LDD0613  [16]
 LDCM0297  AC36 HCT 116 C35(0.81); C391(0.88); C104(0.97); C99(0.97)  LDD0614  [16]
 LDCM0298  AC37 HCT 116 C391(0.69); C46(0.82); C94(0.88); C37(0.91)  LDD0615  [16]
 LDCM0299  AC38 HCT 116 C391(0.80); C94(0.86); C104(0.89); C99(0.89)  LDD0616  [16]
 LDCM0300  AC39 HCT 116 C166(0.81); C94(0.86); C35(0.90); C104(0.94)  LDD0617  [16]
 LDCM0301  AC4 HCT 116 C166(0.96); C35(0.99); C131(1.02); C48(1.07)  LDD0618  [16]
 LDCM0302  AC40 HCT 116 C391(0.64); C394(0.84); C46(0.94); C35(0.97)  LDD0619  [16]
 LDCM0303  AC41 HCT 116 C391(0.51); C394(0.89); C104(0.92); C99(0.92)  LDD0620  [16]
 LDCM0304  AC42 HCT 116 C391(0.77); C394(0.96); C104(0.99); C99(0.99)  LDD0621  [16]
 LDCM0305  AC43 HCT 116 C391(0.59); C394(0.91); C85(0.96); C35(1.04)  LDD0622  [16]
 LDCM0306  AC44 HCT 116 C391(0.54); C35(0.90); C85(0.91); C37(1.01)  LDD0623  [16]
 LDCM0307  AC45 HCT 116 C391(0.48); C85(0.84); C394(0.96); C94(1.01)  LDD0624  [16]
 LDCM0308  AC46 HCT 116 C391(0.51); C394(0.60); C85(0.62); C94(0.64)  LDD0625  [16]
 LDCM0309  AC47 HCT 116 C94(0.64); C85(0.69); C394(0.82); C48(0.82)  LDD0626  [16]
 LDCM0310  AC48 HCT 116 C391(0.53); C85(0.58); C394(0.60); C94(0.71)  LDD0627  [16]
 LDCM0311  AC49 HCT 116 C391(0.56); C85(0.57); C394(0.66); C46(0.78)  LDD0628  [16]
 LDCM0312  AC5 HCT 116 C131(0.81); C166(0.97); C85(1.03); C37(1.17)  LDD0629  [16]
 LDCM0313  AC50 HCT 116 C391(0.54); C394(0.63); C85(0.67); C94(0.95)  LDD0630  [16]
 LDCM0314  AC51 HCT 116 C391(0.64); C394(0.69); C85(0.71); C94(0.82)  LDD0631  [16]
 LDCM0315  AC52 HCT 116 C391(0.69); C394(0.73); C85(0.78); C35(0.92)  LDD0632  [16]
 LDCM0316  AC53 HCT 116 C166(0.83); C94(0.91); C85(0.91); C48(1.00)  LDD0633  [16]
 LDCM0317  AC54 HCT 116 C391(0.56); C394(0.63); C85(0.66); C94(0.88)  LDD0634  [16]
 LDCM0318  AC55 HCT 116 C85(0.65); C94(0.72); C48(0.84); C166(0.86)  LDD0635  [16]
 LDCM0319  AC56 HCT 116 C85(0.42); C391(0.59); C48(0.59); C394(0.65)  LDD0636  [16]
 LDCM0320  AC57 HCT 116 C394(0.68); C391(0.70); C85(0.96); C37(0.98)  LDD0637  [16]
 LDCM0321  AC58 HCT 116 C391(0.63); C394(0.64); C37(0.90); C208(0.90)  LDD0638  [16]
 LDCM0322  AC59 HCT 116 C394(0.73); C391(0.73); C85(0.87); C35(1.07)  LDD0639  [16]
 LDCM0323  AC6 HCT 116 C394(0.76); C391(0.79); C131(0.99); C241(1.04)  LDD0640  [16]
 LDCM0324  AC60 HCT 116 C394(0.73); C391(0.75); C46(0.94); C85(0.96)  LDD0641  [16]
 LDCM0325  AC61 HCT 116 C391(0.61); C394(0.61); C208(0.85); C85(0.85)  LDD0642  [16]
 LDCM0326  AC62 HCT 116 C394(0.69); C391(0.72); C85(0.90); C46(0.91)  LDD0643  [16]
 LDCM0327  AC63 HCT 116 C394(0.80); C35(0.84); C391(0.86); C46(0.87)  LDD0644  [16]
 LDCM0328  AC64 HCT 116 C394(0.79); C391(0.90); C35(0.96); C208(0.98)  LDD0645  [16]
 LDCM0329  AC65 HCT 116 C391(0.68); C394(0.69); C85(0.81); C208(0.83)  LDD0646  [16]
 LDCM0330  AC66 HCT 116 C394(0.74); C391(0.75); C85(0.80); C208(0.81)  LDD0647  [16]
 LDCM0331  AC67 HCT 116 C391(0.50); C394(0.50); C35(0.62); C46(0.65)  LDD0648  [16]
 LDCM0332  AC68 HCT 116 C48(0.74); C35(0.78); C208(0.82); C85(0.85)  LDD0649  [16]
 LDCM0333  AC69 HCT 116 C35(0.54); C48(0.68); C394(0.75); C85(0.78)  LDD0650  [16]
 LDCM0334  AC7 HCT 116 C394(0.88); C391(0.91); C85(1.04); C208(1.04)  LDD0651  [16]
 LDCM0335  AC70 HCT 116 C35(0.50); C391(0.57); C394(0.58); C48(0.58)  LDD0652  [16]
 LDCM0336  AC71 HCT 116 C48(0.69); C208(0.87); C37(0.90); C104(0.93)  LDD0653  [16]
 LDCM0337  AC72 HCT 116 C48(0.67); C208(0.74); C394(0.76); C391(0.84)  LDD0654  [16]
 LDCM0338  AC73 HCT 116 C35(0.40); C391(0.50); C48(0.51); C85(0.51)  LDD0655  [16]
 LDCM0339  AC74 HCT 116 C35(0.40); C48(0.51); C46(0.62); C394(0.66)  LDD0656  [16]
 LDCM0340  AC75 HCT 116 C35(0.22); C48(0.50); C85(0.53); C391(0.54)  LDD0657  [16]
 LDCM0341  AC76 HCT 116 C48(0.78); C394(0.81); C94(0.84); C85(0.85)  LDD0658  [16]
 LDCM0342  AC77 HCT 116 C48(0.67); C85(0.72); C394(0.73); C208(0.75)  LDD0659  [16]
 LDCM0343  AC78 HCT 116 C48(0.68); C208(0.87); C94(0.89); C391(0.91)  LDD0660  [16]
 LDCM0344  AC79 HCT 116 C208(0.80); C394(0.88); C48(0.93); C94(0.95)  LDD0661  [16]
 LDCM0345  AC8 HCT 116 C394(0.79); C391(0.79); C131(0.94); C208(0.95)  LDD0662  [16]
 LDCM0346  AC80 HCT 116 C48(0.80); C394(0.80); C85(0.88); C104(0.89)  LDD0663  [16]
 LDCM0347  AC81 HCT 116 C208(0.74); C48(0.88); C37(0.97); C104(1.02)  LDD0664  [16]
 LDCM0348  AC82 HCT 116 C35(0.18); C46(0.37); C48(0.45); C85(0.50)  LDD0665  [16]
 LDCM0349  AC83 HCT 116 C85(0.51); C94(0.56); C394(0.59); C391(0.61)  LDD0666  [16]
 LDCM0350  AC84 HCT 116 C394(0.56); C85(0.57); C391(0.61); C94(0.70)  LDD0667  [16]
 LDCM0351  AC85 HCT 116 C85(0.76); C394(0.84); C391(0.85); C94(0.85)  LDD0668  [16]
 LDCM0352  AC86 HCT 116 C131(0.84); C394(0.85); C391(0.93); C35(0.93)  LDD0669  [16]
 LDCM0353  AC87 HCT 116 C46(0.92); C35(0.95); C394(0.96); C94(0.97)  LDD0670  [16]
 LDCM0354  AC88 HCT 116 C131(0.79); C394(0.84); C46(0.89); C37(0.89)  LDD0671  [16]
 LDCM0355  AC89 HCT 116 C394(0.68); C85(0.70); C94(0.75); C391(0.78)  LDD0672  [16]
 LDCM0357  AC90 HCT 116 C37(0.89); C46(1.04); C104(1.08); C99(1.08)  LDD0674  [16]
 LDCM0358  AC91 HCT 116 C85(0.60); C94(0.67); C394(0.69); C391(0.73)  LDD0675  [16]
 LDCM0359  AC92 HCT 116 C85(0.65); C94(0.69); C394(0.71); C37(0.77)  LDD0676  [16]
 LDCM0360  AC93 HCT 116 C37(0.58); C46(0.86); C394(0.87); C391(0.96)  LDD0677  [16]
 LDCM0361  AC94 HCT 116 C35(0.85); C46(0.90); C131(0.97); C37(1.02)  LDD0678  [16]
 LDCM0362  AC95 HCT 116 C85(0.71); C94(0.73); C391(0.80); C394(0.84)  LDD0679  [16]
 LDCM0363  AC96 HCT 116 C394(0.89); C94(0.93); C391(0.94); C85(0.95)  LDD0680  [16]
 LDCM0364  AC97 HCT 116 C394(0.63); C85(0.64); C94(0.70); C391(0.73)  LDD0681  [16]
 LDCM0365  AC98 HCT 116 C394(0.26); C85(0.33); C391(0.36); C94(0.52)  LDD0682  [16]
 LDCM0366  AC99 HCT 116 C391(0.46); C394(0.55); C46(0.70); C35(0.74)  LDD0683  [16]
 LDCM0248  AKOS034007472 HCT 116 C35(1.54); C104(1.06); C131(0.99); C208(1.22)  LDD0565  [16]
 LDCM0356  AKOS034007680 HCT 116 C131(0.94); C208(1.02); C94(1.02); C85(1.12)  LDD0673  [16]
 LDCM0275  AKOS034007705 HCT 116 C394(0.65); C391(0.88); C85(0.91); C94(1.01)  LDD0592  [16]
 LDCM0156  Aniline NCI-H1299 12.98  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C94(1.01); C166(1.00); C391(0.89); C394(0.89)  LDD0078  [16]
 LDCM0088  C45 HEK-293T 11.74  LDD0202  [8]
 LDCM0630  CCW28-3 231MFP C241(1.60); C166(1.12)  LDD2214  [36]
 LDCM0108  Chloroacetamide HeLa C131(0.00); C166(0.00); C208(0.00); C391(0.00)  LDD0222  [28]
 LDCM0632  CL-Sc Hep-G2 C208(1.67); C131(0.80)  LDD2227  [22]
 LDCM0367  CL1 HCT 116 C241(0.73); C85(0.80); C131(0.82); C46(0.88)  LDD0684  [16]
 LDCM0368  CL10 HCT 116 C391(0.52); C85(0.57); C394(0.58); C208(0.77)  LDD0685  [16]
 LDCM0369  CL100 HCT 116 C131(0.82); C166(0.88); C85(0.91); C46(1.05)  LDD0686  [16]
 LDCM0370  CL101 HCT 116 C394(0.78); C391(0.91); C131(0.92); C85(1.07)  LDD0687  [16]
 LDCM0371  CL102 HCT 116 C241(0.82); C131(0.87); C394(1.12); C104(1.15)  LDD0688  [16]
 LDCM0372  CL103 HCT 116 C241(0.92); C131(1.12); C208(1.14); C104(1.17)  LDD0689  [16]
 LDCM0373  CL104 HCT 116 C208(0.89); C131(0.89); C241(0.98); C394(1.01)  LDD0690  [16]
 LDCM0374  CL105 HCT 116 C94(0.87); C394(0.88); C85(1.17); C48(1.19)  LDD0691  [16]
 LDCM0375  CL106 HCT 116 C94(0.78); C85(0.92); C394(0.94); C46(1.26)  LDD0692  [16]
 LDCM0376  CL107 HCT 116 C94(0.92); C394(0.93); C85(0.98); C46(1.34)  LDD0693  [16]
 LDCM0377  CL108 HCT 116 C94(0.83); C394(0.95); C85(0.97); C48(1.25)  LDD0694  [16]
 LDCM0378  CL109 HCT 116 C85(0.78); C394(0.87); C94(0.92); C166(1.20)  LDD0695  [16]
 LDCM0379  CL11 HCT 116 C394(0.54); C391(0.61); C208(0.62); C85(0.70)  LDD0696  [16]
 LDCM0380  CL110 HCT 116 C85(0.83); C394(0.89); C94(0.99); C166(1.16)  LDD0697  [16]
 LDCM0381  CL111 HCT 116 C394(0.80); C391(1.01); C85(1.08); C48(1.17)  LDD0698  [16]
 LDCM0382  CL112 HCT 116 C85(0.66); C94(0.77); C208(0.87); C46(0.92)  LDD0699  [16]
 LDCM0383  CL113 HCT 116 C85(0.60); C131(0.83); C391(0.91); C394(0.92)  LDD0700  [16]
 LDCM0384  CL114 HCT 116 C85(0.54); C391(0.77); C394(0.78); C131(0.91)  LDD0701  [16]
 LDCM0385  CL115 HCT 116 C391(0.62); C394(0.71); C85(0.71); C131(0.94)  LDD0702  [16]
 LDCM0386  CL116 HCT 116 C85(0.74); C394(0.86); C391(0.87); C94(0.98)  LDD0703  [16]
 LDCM0387  CL117 HCT 116 C394(0.67); C35(0.70); C391(0.73); C48(0.74)  LDD0704  [16]
 LDCM0388  CL118 HCT 116 C391(0.64); C394(0.85); C46(0.91); C104(0.99)  LDD0705  [16]
 LDCM0389  CL119 HCT 116 C391(0.70); C394(0.81); C35(0.92); C94(0.99)  LDD0706  [16]
 LDCM0390  CL12 HCT 116 C394(0.61); C85(0.70); C208(0.71); C391(0.75)  LDD0707  [16]
 LDCM0391  CL120 HCT 116 C391(0.70); C94(0.79); C394(0.89); C85(0.92)  LDD0708  [16]
 LDCM0392  CL121 HCT 116 C85(0.55); C94(0.76); C391(0.84); C394(0.88)  LDD0709  [16]
 LDCM0393  CL122 HCT 116 C85(0.58); C391(0.59); C394(0.64); C48(0.81)  LDD0710  [16]
 LDCM0394  CL123 HCT 116 C85(0.41); C391(0.53); C394(0.60); C94(0.71)  LDD0711  [16]
 LDCM0395  CL124 HCT 116 C85(0.48); C391(0.52); C394(0.64); C94(0.68)  LDD0712  [16]
 LDCM0396  CL125 HCT 116 C208(0.75); C85(0.75); C35(0.92); C46(0.93)  LDD0713  [16]
 LDCM0397  CL126 HCT 116 C208(0.62); C85(0.63); C391(0.85); C35(0.87)  LDD0714  [16]
 LDCM0398  CL127 HCT 116 C85(0.77); C391(0.78); C208(0.78); C394(0.80)  LDD0715  [16]
 LDCM0399  CL128 HCT 116 C394(0.70); C391(0.70); C85(0.82); C208(0.91)  LDD0716  [16]
 LDCM0400  CL13 HCT 116 C391(0.49); C394(0.59); C208(0.64); C85(0.88)  LDD0717  [16]
 LDCM0401  CL14 HCT 116 C391(0.68); C131(0.79); C394(0.81); C208(0.90)  LDD0718  [16]
 LDCM0402  CL15 HCT 116 C391(0.50); C394(0.61); C208(0.71); C85(0.78)  LDD0719  [16]
 LDCM0403  CL16 HCT 116 C94(0.45); C391(0.55); C394(0.55); C85(0.67)  LDD0720  [16]
 LDCM0404  CL17 HCT 116 C46(0.30); C37(0.50); C35(0.69); C48(0.69)  LDD0721  [16]
 LDCM0405  CL18 HCT 116 C46(0.45); C37(0.57); C35(0.70); C48(0.70)  LDD0722  [16]
 LDCM0406  CL19 HCT 116 C35(0.85); C48(0.85); C37(0.87); C46(0.88)  LDD0723  [16]
 LDCM0407  CL2 HCT 116 C131(0.74); C241(0.81); C94(0.92); C85(0.93)  LDD0724  [16]
 LDCM0408  CL20 HCT 116 C46(0.62); C131(0.72); C37(0.76); C35(0.90)  LDD0725  [16]
 LDCM0409  CL21 HCT 116 C35(0.51); C48(0.51); C37(0.65); C85(0.67)  LDD0726  [16]
 LDCM0410  CL22 HCT 116 C35(0.44); C48(0.44); C37(0.45); C46(0.47)  LDD0727  [16]
 LDCM0411  CL23 HCT 116 C46(0.47); C37(0.70); C391(0.80); C394(0.80)  LDD0728  [16]
 LDCM0412  CL24 HCT 116 C46(0.37); C37(0.48); C35(0.60); C48(0.60)  LDD0729  [16]
 LDCM0413  CL25 HCT 116 C35(0.61); C104(1.87); C131(1.27); C241(1.39)  LDD0730  [16]
 LDCM0414  CL26 HCT 116 C35(0.60); C104(1.62); C131(1.17); C241(1.24)  LDD0731  [16]
 LDCM0415  CL27 HCT 116 C35(1.04); C104(1.37); C131(1.47); C241(1.26)  LDD0732  [16]
 LDCM0416  CL28 HCT 116 C35(1.01); C104(1.73); C131(1.36); C241(1.18)  LDD0733  [16]
 LDCM0417  CL29 HCT 116 C35(0.54); C104(1.53); C131(0.65); C241(1.37)  LDD0734  [16]
 LDCM0418  CL3 HCT 116 C35(1.67); C104(0.95); C131(0.85); C208(0.98)  LDD0735  [16]
 LDCM0419  CL30 HCT 116 C35(0.58); C104(1.08); C131(0.47); C241(1.13)  LDD0736  [16]
 LDCM0420  CL31 HCT 116 C35(0.78); C104(1.32); C131(1.21); C166(1.02)  LDD0737  [16]
 LDCM0421  CL32 HCT 116 C35(0.51); C104(1.23); C131(0.92); C166(0.92)  LDD0738  [16]
 LDCM0422  CL33 HCT 116 C35(0.46); C104(1.32); C131(1.10); C166(0.94)  LDD0739  [16]
 LDCM0423  CL34 HCT 116 C35(0.54); C104(1.58); C131(0.78); C166(1.06)  LDD0740  [16]
 LDCM0424  CL35 HCT 116 C35(1.17); C104(2.27); C131(0.75); C166(1.00)  LDD0741  [16]
 LDCM0425  CL36 HCT 116 C35(0.50); C104(2.22); C131(0.81); C166(1.06)  LDD0742  [16]
 LDCM0426  CL37 HCT 116 C35(0.67); C104(1.94); C131(0.82); C166(1.03)  LDD0743  [16]
 LDCM0428  CL39 HCT 116 C35(0.50); C104(2.27); C131(0.87); C166(1.08)  LDD0745  [16]
 LDCM0429  CL4 HCT 116 C35(2.20); C104(1.12); C131(0.60); C208(1.22)  LDD0746  [16]
 LDCM0430  CL40 HCT 116 C35(0.60); C104(1.90); C131(0.71); C166(1.18)  LDD0747  [16]
 LDCM0431  CL41 HCT 116 C35(1.17); C104(1.66); C131(0.93); C166(0.83)  LDD0748  [16]
 LDCM0432  CL42 HCT 116 C35(0.27); C104(1.57); C131(0.69); C166(0.94)  LDD0749  [16]
 LDCM0433  CL43 HCT 116 C35(0.49); C104(1.65); C131(0.79); C166(0.91)  LDD0750  [16]
 LDCM0434  CL44 HCT 116 C35(0.65); C104(1.53); C131(0.81); C166(0.96)  LDD0751  [16]
 LDCM0435  CL45 HCT 116 C35(0.46); C104(1.30); C131(1.02); C166(0.85)  LDD0752  [16]
 LDCM0436  CL46 HCT 116 C35(1.10); C104(0.77); C131(3.06); C166(0.89)  LDD0753  [16]
 LDCM0437  CL47 HCT 116 C35(0.88); C104(0.82); C131(1.43); C166(0.86)  LDD0754  [16]
 LDCM0438  CL48 HCT 116 C35(1.03); C104(0.72); C131(2.14); C166(0.90)  LDD0755  [16]
 LDCM0439  CL49 HCT 116 C35(1.08); C104(0.79); C131(2.71); C166(1.07)  LDD0756  [16]
 LDCM0440  CL5 HCT 116 C35(1.97); C104(1.03); C131(0.92); C208(1.06)  LDD0757  [16]
 LDCM0441  CL50 HCT 116 C35(0.90); C104(0.76); C131(2.14); C166(0.97)  LDD0758  [16]
 LDCM0442  CL51 HCT 116 C35(1.05); C104(0.77); C131(3.52); C166(0.83)  LDD0759  [16]
 LDCM0443  CL52 HCT 116 C35(1.20); C104(0.84); C131(3.13); C166(0.98)  LDD0760  [16]
 LDCM0444  CL53 HCT 116 C35(1.00); C104(0.97); C131(0.63); C166(1.07)  LDD0761  [16]
 LDCM0445  CL54 HCT 116 C35(1.09); C104(0.80); C131(3.08); C166(0.96)  LDD0762  [16]
 LDCM0446  CL55 HCT 116 C35(0.87); C104(0.84); C131(1.92); C166(0.97)  LDD0763  [16]
 LDCM0447  CL56 HCT 116 C35(1.25); C104(0.91); C131(1.36); C166(1.04)  LDD0764  [16]
 LDCM0448  CL57 HCT 116 C35(1.06); C104(0.79); C131(1.18); C166(0.99)  LDD0765  [16]
 LDCM0449  CL58 HCT 116 C35(0.93); C104(0.72); C131(3.07); C166(1.01)  LDD0766  [16]
 LDCM0450  CL59 HCT 116 C35(1.00); C104(0.85); C131(2.44); C166(0.97)  LDD0767  [16]
 LDCM0451  CL6 HCT 116 C35(1.60); C104(0.94); C131(1.14); C208(0.83)  LDD0768  [16]
 LDCM0452  CL60 HCT 116 C35(1.00); C104(0.88); C131(3.88); C166(0.86)  LDD0769  [16]
 LDCM0453  CL61 HCT 116 C35(1.11); C104(1.01); C131(1.28); C166(1.03)  LDD0770  [16]
 LDCM0454  CL62 HCT 116 C35(1.19); C104(0.98); C131(1.29); C166(0.96)  LDD0771  [16]
 LDCM0455  CL63 HCT 116 C35(1.15); C104(1.38); C131(1.85); C166(1.06)  LDD0772  [16]
 LDCM0456  CL64 HCT 116 C35(1.32); C104(1.66); C131(1.31); C166(1.22)  LDD0773  [16]
 LDCM0457  CL65 HCT 116 C35(1.16); C104(1.19); C131(1.25); C166(1.12)  LDD0774  [16]
 LDCM0458  CL66 HCT 116 C35(1.38); C104(2.20); C131(1.41); C166(1.55)  LDD0775  [16]
 LDCM0459  CL67 HCT 116 C35(1.03); C104(1.78); C131(1.00); C166(1.13)  LDD0776  [16]
 LDCM0460  CL68 HCT 116 C35(1.16); C104(1.28); C131(0.83); C166(1.38)  LDD0777  [16]
 LDCM0461  CL69 HCT 116 C35(1.08); C104(0.88); C131(1.27); C166(1.08)  LDD0778  [16]
 LDCM0462  CL7 HCT 116 C35(1.91); C104(1.32); C131(0.84); C208(0.82)  LDD0779  [16]
 LDCM0463  CL70 HCT 116 C35(1.06); C104(1.16); C131(1.67); C166(1.28)  LDD0780  [16]
 LDCM0464  CL71 HCT 116 C35(1.13); C104(1.58); C131(1.21); C166(0.88)  LDD0781  [16]
 LDCM0465  CL72 HCT 116 C35(1.10); C104(1.20); C131(1.19); C166(1.06)  LDD0782  [16]
 LDCM0466  CL73 HCT 116 C35(1.05); C104(1.40); C131(1.04); C166(1.11)  LDD0783  [16]
 LDCM0467  CL74 HCT 116 C35(1.20); C104(1.46); C131(1.29); C166(1.26)  LDD0784  [16]
 LDCM0469  CL76 HCT 116 C35(1.14); C104(1.09); C131(0.95); C166(1.06)  LDD0786  [16]
 LDCM0470  CL77 HCT 116 C35(1.31); C104(0.93); C131(0.89); C166(1.14)  LDD0787  [16]
 LDCM0471  CL78 HCT 116 C35(0.77); C104(1.17); C131(0.98); C166(1.00)  LDD0788  [16]
 LDCM0472  CL79 HCT 116 C35(1.62); C104(1.56); C131(1.16); C166(1.00)  LDD0789  [16]
 LDCM0473  CL8 HCT 116 C35(1.06); C104(1.44); C131(0.77); C208(0.54)  LDD0790  [16]
 LDCM0474  CL80 HCT 116 C35(0.70); C104(0.93); C131(1.01); C166(1.03)  LDD0791  [16]
 LDCM0475  CL81 HCT 116 C35(1.01); C104(1.18); C131(1.13); C166(1.01)  LDD0792  [16]
 LDCM0476  CL82 HCT 116 C35(1.10); C104(1.55); C131(0.95); C166(1.00)  LDD0793  [16]
 LDCM0477  CL83 HCT 116 C35(0.90); C104(1.48); C131(0.81); C166(0.91)  LDD0794  [16]
 LDCM0478  CL84 HCT 116 C35(1.35); C104(1.30); C131(0.94); C166(1.12)  LDD0795  [16]
 LDCM0479  CL85 HCT 116 C35(1.83); C104(1.15); C131(1.14); C166(1.07)  LDD0796  [16]
 LDCM0480  CL86 HCT 116 C35(0.96); C104(0.99); C131(0.91); C166(1.01)  LDD0797  [16]
 LDCM0481  CL87 HCT 116 C35(1.16); C104(1.49); C131(1.04); C166(1.01)  LDD0798  [16]
 LDCM0482  CL88 HCT 116 C35(0.82); C104(1.54); C131(0.94); C166(1.03)  LDD0799  [16]
 LDCM0483  CL89 HCT 116 C35(0.85); C104(1.18); C131(0.99); C166(0.98)  LDD0800  [16]
 LDCM0484  CL9 HCT 116 C35(2.60); C104(1.37); C131(0.93); C208(0.93)  LDD0801  [16]
 LDCM0485  CL90 HCT 116 C35(0.59); C104(0.79); C131(0.62); C166(0.92)  LDD0802  [16]
 LDCM0486  CL91 HCT 116 C35(1.04); C104(1.40); C131(1.59); C166(1.13)  LDD0803  [16]
 LDCM0487  CL92 HCT 116 C35(0.88); C104(1.27); C131(0.61); C166(0.90)  LDD0804  [16]
 LDCM0488  CL93 HCT 116 C35(1.44); C104(1.23); C131(0.67); C166(0.89)  LDD0805  [16]
 LDCM0489  CL94 HCT 116 C35(1.03); C104(1.47); C131(0.92); C166(0.95)  LDD0806  [16]
 LDCM0490  CL95 HCT 116 C35(1.22); C104(1.48); C131(0.93); C166(0.95)  LDD0807  [16]
 LDCM0491  CL96 HCT 116 C35(0.96); C104(1.48); C131(0.75); C166(0.99)  LDD0808  [16]
 LDCM0492  CL97 HCT 116 C35(1.14); C104(1.53); C131(0.93); C166(1.08)  LDD0809  [16]
 LDCM0493  CL98 HCT 116 C35(1.07); C104(1.46); C131(1.24); C166(0.97)  LDD0810  [16]
 LDCM0494  CL99 HCT 116 C35(1.03); C104(1.54); C131(1.05); C166(0.89)  LDD0811  [16]
 LDCM0634  CY-0357 Hep-G2 C166(4.91)  LDD2228  [22]
 LDCM0495  E2913 HEK-293T C131(1.00); C208(1.04); C166(1.23); C241(0.84)  LDD1698  [37]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C85(2.37); C208(2.32); C394(2.27); C104(1.62)  LDD1702  [10]
 LDCM0175  Ethacrynic acid HeLa N.A.  LDD0440  [13]
 LDCM0625  F8 Ramos C208(1.25)  LDD2187  [38]
 LDCM0572  Fragment10 MDA-MB-231 C166(1.67); C241(2.63); C37(20.00)  LDD1389  [11]
 LDCM0573  Fragment11 MDA-MB-231 C166(1.59); C241(6.39)  LDD1391  [11]
 LDCM0574  Fragment12 MDA-MB-231 C166(1.31); C241(20.00)  LDD1393  [11]
 LDCM0575  Fragment13 MDA-MB-231 C166(2.22); C241(1.90); C37(2.23)  LDD1395  [11]
 LDCM0576  Fragment14 MDA-MB-231 C166(1.21); C241(2.01); C37(0.83)  LDD1397  [11]
 LDCM0577  Fragment15 MDA-MB-231 C166(1.40); C241(1.48); C37(1.14)  LDD1399  [11]
 LDCM0579  Fragment20 MDA-MB-231 C166(1.34); C241(1.81); C37(4.58)  LDD1402  [11]
 LDCM0580  Fragment21 MDA-MB-231 C166(1.21); C241(1.33); C37(1.74)  LDD1404  [11]
 LDCM0581  Fragment22 MDA-MB-231 C166(1.17); C241(1.11); C37(1.59)  LDD1406  [11]
 LDCM0582  Fragment23 MDA-MB-231 C166(0.96); C241(1.36)  LDD1408  [11]
 LDCM0583  Fragment24 Ramos C166(1.33); C241(1.35)  LDD1410  [11]
 LDCM0584  Fragment25 MDA-MB-231 C166(0.84); C241(0.98); C37(1.11)  LDD1411  [11]
 LDCM0585  Fragment26 Ramos C166(0.48); C241(0.78)  LDD1412  [11]
 LDCM0578  Fragment27 MDA-MB-231 C166(0.94); C241(0.94); C37(0.99)  LDD1401  [11]
 LDCM0586  Fragment28 MDA-MB-231 C166(1.27); C241(1.21); C37(1.00)  LDD1415  [11]
 LDCM0587  Fragment29 MDA-MB-231 C166(1.10); C241(0.82); C37(1.32)  LDD1417  [11]
 LDCM0588  Fragment30 MDA-MB-231 C166(1.23); C241(1.14)  LDD1419  [11]
 LDCM0589  Fragment31 MDA-MB-231 C166(1.15); C241(1.27)  LDD1421  [11]
 LDCM0590  Fragment32 MDA-MB-231 C166(2.37); C241(20.00); C37(3.55)  LDD1423  [11]
 LDCM0468  Fragment33 HCT 116 C35(1.20); C104(1.56); C131(1.37); C166(1.11)  LDD0785  [16]
 LDCM0592  Fragment34 MDA-MB-231 C166(0.62); C241(0.66); C37(0.72)  LDD1427  [11]
 LDCM0593  Fragment35 MDA-MB-231 C166(1.16); C241(0.92)  LDD1429  [11]
 LDCM0594  Fragment36 MDA-MB-231 C241(3.03)  LDD1431  [11]
 LDCM0595  Fragment37 Ramos C166(1.13); C37(1.25)  LDD1432  [11]
 LDCM0596  Fragment38 MDA-MB-231 C166(1.50); C241(1.02); C37(1.07)  LDD1433  [11]
 LDCM0597  Fragment39 MDA-MB-231 C166(1.42); C241(3.61)  LDD1435  [11]
 LDCM0566  Fragment4 MDA-MB-231 C166(3.17); C241(1.74); C37(3.42)  LDD1378  [11]
 LDCM0598  Fragment40 MDA-MB-231 C166(3.82); C241(0.94)  LDD1436  [11]
 LDCM0599  Fragment41 MDA-MB-231 C166(1.17); C241(1.09); C37(1.31)  LDD1438  [11]
 LDCM0600  Fragment42 Ramos C166(1.02); C241(0.79)  LDD1440  [11]
 LDCM0601  Fragment43 MDA-MB-231 C166(2.05); C241(5.73)  LDD1441  [11]
 LDCM0602  Fragment44 MDA-MB-231 C166(0.71); C241(0.81); C37(0.86)  LDD1443  [11]
 LDCM0603  Fragment45 MDA-MB-231 C241(20.00)  LDD1444  [11]
 LDCM0604  Fragment46 MDA-MB-231 C166(0.89); C241(1.12); C37(1.15)  LDD1445  [11]
 LDCM0605  Fragment47 MDA-MB-231 C166(1.05); C241(1.48)  LDD1446  [11]
 LDCM0606  Fragment48 MDA-MB-231 C241(3.03)  LDD1447  [11]
 LDCM0607  Fragment49 MDA-MB-231 C166(4.67); C241(3.06)  LDD1448  [11]
 LDCM0608  Fragment50 MDA-MB-231 C166(2.70); C241(1.36)  LDD1449  [11]
 LDCM0427  Fragment51 HCT 116 C35(0.46); C104(1.87); C131(0.71); C166(1.04)  LDD0744  [16]
 LDCM0610  Fragment52 MDA-MB-231 C166(3.81); C241(1.51)  LDD1452  [11]
 LDCM0611  Fragment53 MDA-MB-231 C166(0.84); C241(0.96)  LDD1454  [11]
 LDCM0612  Fragment54 MDA-MB-231 C166(1.23); C241(1.20); C37(1.13)  LDD1456  [11]
 LDCM0613  Fragment55 MDA-MB-231 C166(1.06); C241(1.13)  LDD1457  [11]
 LDCM0614  Fragment56 MDA-MB-231 C166(0.89); C241(1.31)  LDD1458  [11]
 LDCM0568  Fragment6 MDA-MB-231 C166(1.71); C241(1.17)  LDD1382  [11]
 LDCM0569  Fragment7 MDA-MB-231 C166(1.07); C241(2.23)  LDD1383  [11]
 LDCM0570  Fragment8 MDA-MB-231 C166(2.06); C241(1.90); C37(1.84)  LDD1385  [11]
 LDCM0571  Fragment9 MDA-MB-231 C166(3.99); C241(1.53); C37(2.95)  LDD1387  [11]
 LDCM0116  HHS-0101 DM93 Y120(0.70)  LDD0264  [15]
 LDCM0117  HHS-0201 DM93 Y120(0.67)  LDD0265  [15]
 LDCM0118  HHS-0301 DM93 Y120(0.68)  LDD0266  [15]
 LDCM0119  HHS-0401 DM93 Y120(0.82)  LDD0267  [15]
 LDCM0120  HHS-0701 DM93 Y120(0.53)  LDD0268  [15]
 LDCM0107  IAA HeLa C131(0.00); C208(0.00); H434(0.00); H158(0.00)  LDD0221  [28]
 LDCM0123  JWB131 DM93 Y120(2.09); Y431(1.63)  LDD0285  [14]
 LDCM0124  JWB142 DM93 Y431(1.02)  LDD0286  [14]
 LDCM0125  JWB146 DM93 Y120(1.56); Y431(3.66)  LDD0287  [14]
 LDCM0126  JWB150 DM93 Y431(3.09)  LDD0288  [14]
 LDCM0127  JWB152 DM93 Y431(3.10)  LDD0289  [14]
 LDCM0128  JWB198 DM93 Y120(0.14); Y431(1.69)  LDD0290  [14]
 LDCM0129  JWB202 DM93 Y120(3.76); Y431(0.75)  LDD0291  [14]
 LDCM0130  JWB211 DM93 Y431(1.63)  LDD0292  [14]
 LDCM0179  JZ128 PC-3 C241(0.00); C131(0.00); C166(0.00)  LDD0462  [9]
 LDCM0022  KB02 HCT 116 C46(7.55); C85(6.27); C37(3.23); C35(4.53)  LDD0080  [16]
 LDCM0023  KB03 HCT 116 C46(3.87); C85(4.55); C37(3.15); C35(4.55)  LDD0081  [16]
 LDCM0024  KB05 HCT 116 C46(3.20); C85(2.82); C37(1.72); C35(1.69)  LDD0082  [16]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C85(1.19)  LDD2102  [10]
 LDCM0109  NEM HeLa C131(0.00); H434(0.00); H468(0.00)  LDD0223  [28]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C99(0.68)  LDD2089  [10]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C85(1.30); C104(1.02)  LDD2090  [10]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C99(0.85); C85(0.90); C104(0.71)  LDD2092  [10]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C99(1.02); C85(0.85); C104(1.02)  LDD2094  [10]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C99(0.93); C85(2.18); C104(1.06)  LDD2098  [10]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C391(1.55); C99(0.74)  LDD2099  [10]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C104(0.81); C131(0.98)  LDD2100  [10]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C104(0.93)  LDD2101  [10]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C99(0.52); C85(1.01); C104(0.81)  LDD2104  [10]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C99(1.32); C85(1.43)  LDD2105  [10]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C104(0.71); C131(0.62)  LDD2106  [10]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C391(1.00); C99(1.04); C104(0.53)  LDD2107  [10]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C99(0.52); C85(0.93); C104(0.68)  LDD2108  [10]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C391(0.98)  LDD2109  [10]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C104(0.83)  LDD2110  [10]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C391(1.03)  LDD2111  [10]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C99(0.47); C104(0.75)  LDD2114  [10]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C99(0.73)  LDD2115  [10]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C99(0.69); C85(0.85)  LDD2123  [10]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C99(0.74)  LDD2125  [10]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C391(1.08); C104(1.05); C394(0.82)  LDD2127  [10]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C104(0.64)  LDD2128  [10]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C391(1.00)  LDD2129  [10]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C391(0.77)  LDD2133  [10]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C104(0.70)  LDD2134  [10]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C391(1.33)  LDD2135  [10]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C104(1.11); C394(1.39)  LDD2136  [10]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C391(0.81); C394(0.74)  LDD2137  [10]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C104(0.84); C394(1.16)  LDD2140  [10]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C99(0.82); C85(0.80); C104(0.79)  LDD2141  [10]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C391(1.10); C99(0.99)  LDD2144  [10]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C104(3.85); C131(0.70)  LDD2145  [10]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C85(2.22)  LDD2153  [10]
 LDCM0131  RA190 MM1.R C208(1.59); C241(1.52); C37(1.22); C166(1.16)  LDD0304  [39]
 LDCM0170  Structure8 Ramos 20.00  LDD0433  [40]
 LDCM0021  THZ1 HCT 116 C85(1.31); C94(1.19); C35(1.05); C46(1.05)  LDD2173  [16]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Protein disulfide-isomerase (P4HB) Protein disulfide isomerase family P07237
Protein disulfide-isomerase A3 (PDIA3) Protein disulfide isomerase family P30101
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
LIM/homeobox protein Lhx4 (LHX4) . Q969G2
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Amyloid protein-binding protein 2 (APPBP2) . Q92624

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 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
3 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.
4 Chemoproteomics and Phosphoproteomics Profiling Reveals Salvianolic Acid A as a Covalent Inhibitor of mTORC1. J Proteome Res. 2023 Jul 7;22(7):2450-2459. doi: 10.1021/acs.jproteome.3c00188. Epub 2023 Jun 22.
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 Discovery of Potent and Selective Inhibitors against Protein-Derived Electrophilic Cofactors. J Am Chem Soc. 2022 Mar 30;144(12):5377-5388. doi: 10.1021/jacs.1c12748. Epub 2022 Mar 2.
9 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
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 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.
12 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
13 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.
14 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.
15 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.
16 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.
17 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
18 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
19 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
20 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
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 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
23 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.
24 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
25 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
26 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
27 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
28 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.
29 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.
30 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.
31 Global profiling identifies a stress-responsive tyrosine site on EDC3 regulating biomolecular condensate formation. Cell Chem Biol. 2022 Dec 15;29(12):1709-1720.e7. doi: 10.1016/j.chembiol.2022.11.008. Epub 2022 Dec 6.
Mass spectrometry data entry: PXD038010
32 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587
33 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.
34 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.
35 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
36 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.
37 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
38 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
39 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.
40 2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles. J Am Chem Soc. 2020 May 13;142(19):8972-8979. doi: 10.1021/jacs.0c02721. Epub 2020 Apr 29.