Details of the Target

General Information of Target

Target ID LDTP02502
Target Name Thioredoxin (TXN)
Gene Name TXN
Gene ID 7295
Synonyms
TRDX; TRX; TRX1; Thioredoxin; Trx; ATL-derived factor; ADF; Surface-associated sulphydryl protein; SASP; allergen Hom s Trx
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPCKMIKPFFHSLSEKYSNVIFLEVDVD
DCQDVASECEVKCMPTFQFFKKGQKVGEFSGANKEKLEATINELV
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
Thioredoxin family
Subcellular location
Nucleus
Function
Participates in various redox reactions through the reversible oxidation of its active center dithiol to a disulfide and catalyzes dithiol-disulfide exchange reactions. Plays a role in the reversible S-nitrosylation of cysteine residues in target proteins, and thereby contributes to the response to intracellular nitric oxide. Nitrosylates the active site Cys of CASP3 in response to nitric oxide (NO), and thereby inhibits caspase-3 activity. Induces the FOS/JUN AP-1 DNA-binding activity in ionizing radiation (IR) cells through its oxidation/reduction status and stimulates AP-1 transcriptional activity.; ADF augments the expression of the interleukin-2 receptor TAC (IL2R/P55).
TTD ID
T85616
Uniprot ID
P10599
DrugMap ID
TTZJ5U9
Ensemble ID
ENST00000374515.9
HGNC ID
HGNC:12435
ChEMBL ID
CHEMBL2010624

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
MM1S SNV: p.E68Q .

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 49 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
P2
 Probe Info  		10.00  LDD0449  [2]
P3
 Probe Info  		10.00  LDD0450  [2]
P8
 Probe Info  		10.00  LDD0451  [2]
AZ-9
 Probe Info  		2.72  LDD0393  [3]
YN-1
 Probe Info  		100.00  LDD0444  [4]
YN-4
 Probe Info  		100.00  LDD0445  [4]
BTD
 Probe Info  		C35(5.20)  LDD1699  [5]
ONAyne
 Probe Info  		K3(0.00); K94(0.00)  LDD0273  [6]
OPA-S-S-alkyne
 Probe Info  		K96(2.11)  LDD3494  [7]
JZ128-DTB
 Probe Info  		N.A.  LDD0462  [8]
THZ1-DTB
 Probe Info  		C73(1.15)  LDD0460  [8]
AHL-Pu-1
 Probe Info  		C69(2.08); C32(3.59)  LDD0170  [9]
EA-probe
 Probe Info  		C73(0.76)  LDD2210  [10]
DBIA
 Probe Info  		C73(1.01); C62(0.94); C69(0.94); C32(0.85)  LDD0078  [11]
5E-2FA
 Probe Info  		N.A.  LDD2235  [12]
AMP probe
 Probe Info  		N.A.  LDD0200  [13]
ATP probe
 Probe Info  		K39(0.00); K94(0.00); K96(0.00); K8(0.00)  LDD0199  [13]
CY-1
 Probe Info  		D16(0.00); E6(0.00); K8(0.00); S7(0.00)  LDD0246  [14]
4-Iodoacetamidophenylacetylene
 Probe Info  		C73(0.00); C32(0.00); C35(0.00)  LDD0038  [15]
IA-alkyne
 Probe Info  		N.A.  LDD0032  [16]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [17]
Lodoacetamide azide
 Probe Info  		C73(0.00); C32(0.00); C35(0.00)  LDD0037  [15]
ATP probe
 Probe Info  		K81(0.00); K8(0.00); K85(0.00); K82(0.00)  LDD0035  [18]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [19]
NAIA_4
 Probe Info  		N.A.  LDD2226  [20]
TFBX
 Probe Info  		N.A.  LDD0027  [19]
WYneN
 Probe Info  		N.A.  LDD0021  [21]
WYneO
 Probe Info  		N.A.  LDD0022  [21]
aHNE
 Probe Info  		N.A.  LDD0001  [21]
Compound 10
 Probe Info  		N.A.  LDD2216  [22]
Compound 11
 Probe Info  		C32(0.00); C73(0.00)  LDD2213  [22]
ENE
 Probe Info  		N.A.  LDD0006  [21]
IPM
 Probe Info  		C32(0.00); C73(0.00)  LDD0005  [21]
NHS
 Probe Info  		K94(0.00); K85(0.00); K8(0.00)  LDD0010  [21]
NPM
 Probe Info  		N.A.  LDD0016  [21]
PF-06672131
 Probe Info  		N.A.  LDD0017  [23]
SF
 Probe Info  		K94(0.00); K3(0.00)  LDD0028  [24]
STPyne
 Probe Info  		N.A.  LDD0009  [21]
VSF
 Probe Info  		N.A.  LDD0007  [21]
Phosphinate-6
 Probe Info  		C73(0.00); C32(0.00)  LDD0018  [25]
1c-yne
 Probe Info  		K8(0.00); K85(0.00)  LDD0228  [26]
Acrolein
 Probe Info  		H43(0.00); C73(0.00)  LDD0217  [27]
Methacrolein
 Probe Info  		C73(0.00); C32(0.00); H43(0.00); C35(0.00)  LDD0218  [27]
AOyne
 Probe Info  		15.00  LDD0443  [28]
NAIA_5
 Probe Info  		C73(0.00); C35(0.00); C32(0.00)  LDD2223  [20]
TER-AC
 Probe Info  		N.A.  LDD0426  [29]
TPP-AC
 Probe Info  		N.A.  LDD0427  [29]
HHS-465
 Probe Info  		K94(0.00); K39(0.00); K85(0.00)  LDD2240  [30]
PAL-AfBPP Probe
Click To Hide/Show 6 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe12
 Probe Info  		5.96  LDD0473  [31]
FFF probe13
 Probe Info  		7.25  LDD0476  [31]
FFF probe14
 Probe Info  		5.04  LDD0477  [31]
FFF probe2
 Probe Info  		6.04  LDD0463  [31]
FFF probe3
 Probe Info  		7.28  LDD0465  [31]
Diazir
 Probe Info  		N.A.  LDD0011  [21]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C73(0.94)  LDD2112  [5]
 LDCM0025  4SU-RNA DM93 C69(2.08); C32(3.59)  LDD0170  [9]
 LDCM0026  4SU-RNA+native RNA DM93 C73(4.96); C32(6.28)  LDD0171  [9]
 LDCM0214  AC1 HCT 116 C35(1.16); C32(1.12); C62(0.72); C69(0.72)  LDD0531  [11]
 LDCM0215  AC10 HCT 116 C35(1.30); C32(2.26); C62(1.20); C69(1.20)  LDD0532  [11]
 LDCM0216  AC100 HCT 116 C35(0.85); C32(0.95); C73(1.01)  LDD0533  [11]
 LDCM0217  AC101 HCT 116 C35(0.77); C32(1.01); C73(1.04)  LDD0534  [11]
 LDCM0218  AC102 HCT 116 C35(0.88); C32(0.93); C73(1.07)  LDD0535  [11]
 LDCM0219  AC103 HCT 116 C35(1.13); C32(1.14); C73(1.25)  LDD0536  [11]
 LDCM0220  AC104 HCT 116 C35(0.98); C32(0.94); C73(1.11)  LDD0537  [11]
 LDCM0221  AC105 HCT 116 C35(0.97); C32(1.04); C73(1.15)  LDD0538  [11]
 LDCM0222  AC106 HCT 116 C35(0.98); C32(1.04); C73(1.14)  LDD0539  [11]
 LDCM0223  AC107 HCT 116 C35(0.70); C32(0.94); C73(1.15)  LDD0540  [11]
 LDCM0224  AC108 HCT 116 C35(0.60); C32(0.82); C73(0.94)  LDD0541  [11]
 LDCM0225  AC109 HCT 116 C35(0.68); C32(0.77); C73(0.88)  LDD0542  [11]
 LDCM0226  AC11 HCT 116 C35(1.45); C32(1.19); C62(1.19); C69(1.19)  LDD0543  [11]
 LDCM0227  AC110 HCT 116 C35(0.73); C32(0.87); C73(1.03)  LDD0544  [11]
 LDCM0228  AC111 HCT 116 C35(0.67); C32(0.86); C73(1.01)  LDD0545  [11]
 LDCM0229  AC112 HCT 116 C35(0.76); C32(0.98); C73(1.08)  LDD0546  [11]
 LDCM0230  AC113 HCT 116 C35(1.01); C32(1.09); C73(0.95)  LDD0547  [11]
 LDCM0231  AC114 HCT 116 C35(1.28); C32(1.24); C73(1.14)  LDD0548  [11]
 LDCM0232  AC115 HCT 116 C35(0.82); C32(1.01); C73(1.26)  LDD0549  [11]
 LDCM0233  AC116 HCT 116 C35(1.14); C32(1.33); C73(1.27)  LDD0550  [11]
 LDCM0234  AC117 HCT 116 C35(0.99); C32(1.08); C73(1.08)  LDD0551  [11]
 LDCM0235  AC118 HCT 116 C35(0.94); C32(1.06); C73(1.05)  LDD0552  [11]
 LDCM0236  AC119 HCT 116 C35(0.93); C32(1.01); C73(1.43)  LDD0553  [11]
 LDCM0237  AC12 HCT 116 C35(1.27); C32(1.08); C62(1.24); C69(1.24)  LDD0554  [11]
 LDCM0238  AC120 HCT 116 C35(1.09); C32(1.12); C73(1.23)  LDD0555  [11]
 LDCM0239  AC121 HCT 116 C35(1.12); C32(1.05); C73(1.07)  LDD0556  [11]
 LDCM0240  AC122 HCT 116 C35(0.91); C32(0.98); C73(0.98)  LDD0557  [11]
 LDCM0241  AC123 HCT 116 C35(0.95); C32(1.02); C73(1.01)  LDD0558  [11]
 LDCM0242  AC124 HCT 116 C35(1.06); C32(1.04); C73(0.98)  LDD0559  [11]
 LDCM0243  AC125 HCT 116 C35(0.80); C32(0.98); C73(1.03)  LDD0560  [11]
 LDCM0244  AC126 HCT 116 C35(1.07); C32(1.14); C73(1.12)  LDD0561  [11]
 LDCM0245  AC127 HCT 116 C35(1.20); C32(1.19); C73(1.08)  LDD0562  [11]
 LDCM0246  AC128 HCT 116 C35(1.44); C32(1.24); C62(1.56); C69(1.56)  LDD0563  [11]
 LDCM0247  AC129 HCT 116 C35(0.91); C32(1.20); C62(1.15); C69(1.15)  LDD0564  [11]
 LDCM0249  AC130 HCT 116 C35(1.12); C32(1.20); C62(1.08); C69(1.08)  LDD0566  [11]
 LDCM0250  AC131 HCT 116 C35(0.82); C32(1.11); C62(0.92); C69(0.92)  LDD0567  [11]
 LDCM0251  AC132 HCT 116 C35(0.94); C32(1.25); C62(1.15); C69(1.15)  LDD0568  [11]
 LDCM0252  AC133 HCT 116 C35(1.11); C32(1.23); C62(1.11); C69(1.11)  LDD0569  [11]
 LDCM0253  AC134 HCT 116 C35(1.07); C32(1.42); C62(1.12); C69(1.12)  LDD0570  [11]
 LDCM0254  AC135 HCT 116 C35(1.09); C32(1.35); C62(1.48); C69(1.48)  LDD0571  [11]
 LDCM0255  AC136 HCT 116 C35(1.08); C32(1.33); C62(1.14); C69(1.14)  LDD0572  [11]
 LDCM0256  AC137 HCT 116 C35(1.01); C32(1.21); C62(0.94); C69(0.94)  LDD0573  [11]
 LDCM0257  AC138 HCT 116 C35(1.00); C32(1.43); C62(1.38); C69(1.38)  LDD0574  [11]
 LDCM0258  AC139 HCT 116 C35(0.97); C32(1.29); C62(1.11); C69(1.11)  LDD0575  [11]
 LDCM0259  AC14 HCT 116 C35(1.32); C32(1.07); C62(1.42); C69(1.42)  LDD0576  [11]
 LDCM0260  AC140 HCT 116 C35(1.11); C32(1.50); C62(1.38); C69(1.38)  LDD0577  [11]
 LDCM0261  AC141 HCT 116 C35(1.00); C32(1.38); C62(1.07); C69(1.07)  LDD0578  [11]
 LDCM0262  AC142 HCT 116 C35(0.92); C32(1.17); C62(0.95); C69(0.95)  LDD0579  [11]
 LDCM0263  AC143 HCT 116 C35(1.07); C32(1.12); C62(0.96); C69(0.96)  LDD0580  [11]
 LDCM0264  AC144 HCT 116 C32(1.18); C35(1.26); C73(1.34); C62(1.45)  LDD0581  [11]
 LDCM0265  AC145 HCT 116 C32(1.11); C62(1.15); C69(1.15); C73(1.16)  LDD0582  [11]
 LDCM0266  AC146 HCT 116 C62(1.13); C69(1.13); C73(1.22); C32(1.26)  LDD0583  [11]
 LDCM0267  AC147 HCT 116 C32(1.23); C73(1.33); C35(1.34); C62(1.51)  LDD0584  [11]
 LDCM0268  AC148 HCT 116 C32(1.55); C73(1.65); C35(1.69); C62(1.70)  LDD0585  [11]
 LDCM0269  AC149 HCT 116 C73(1.30); C32(1.38); C62(1.38); C69(1.38)  LDD0586  [11]
 LDCM0270  AC15 HCT 116 C73(1.09); C32(1.18); C35(1.37); C62(1.55)  LDD0587  [11]
 LDCM0271  AC150 HCT 116 C35(1.07); C32(1.07); C73(1.08); C62(1.16)  LDD0588  [11]
 LDCM0272  AC151 HCT 116 C73(0.96); C32(1.07); C35(1.12); C62(1.20)  LDD0589  [11]
 LDCM0273  AC152 HCT 116 C32(1.27); C73(1.29); C35(1.38); C62(1.39)  LDD0590  [11]
 LDCM0274  AC153 HCT 116 C32(1.60); C73(1.70); C35(1.72); C62(1.91)  LDD0591  [11]
 LDCM0621  AC154 HCT 116 C35(1.22); C32(1.19); C62(1.43); C69(1.43)  LDD2158  [11]
 LDCM0622  AC155 HCT 116 C35(1.36); C32(1.19); C62(1.19); C69(1.19)  LDD2159  [11]
 LDCM0623  AC156 HCT 116 C35(1.03); C32(1.02); C62(1.09); C69(1.09)  LDD2160  [11]
 LDCM0624  AC157 HCT 116 C35(0.99); C32(1.00); C62(1.10); C69(1.10)  LDD2161  [11]
 LDCM0276  AC17 HCT 116 C73(1.00); C35(1.03); C32(1.07); C62(1.09)  LDD0593  [11]
 LDCM0277  AC18 HCT 116 C73(0.87); C62(0.91); C69(0.91); C32(1.21)  LDD0594  [11]
 LDCM0278  AC19 HCT 116 C62(1.03); C69(1.03); C73(1.04); C32(1.08)  LDD0595  [11]
 LDCM0279  AC2 HCT 116 C35(0.99); C62(0.99); C69(0.99); C73(1.13)  LDD0596  [11]
 LDCM0280  AC20 HCT 116 C62(0.89); C69(0.89); C35(1.00); C32(1.02)  LDD0597  [11]
 LDCM0281  AC21 HCT 116 C62(0.94); C69(0.94); C73(1.01); C32(1.02)  LDD0598  [11]
 LDCM0282  AC22 HCT 116 C35(0.93); C73(0.97); C62(0.97); C69(0.97)  LDD0599  [11]
 LDCM0283  AC23 HCT 116 C62(0.77); C69(0.77); C73(0.98); C32(1.18)  LDD0600  [11]
 LDCM0284  AC24 HCT 116 C62(0.84); C69(0.84); C73(0.96); C35(0.98)  LDD0601  [11]
 LDCM0285  AC25 HCT 116 C73(1.01); C32(1.03); C35(1.07); C62(1.15)  LDD0602  [11]
 LDCM0286  AC26 HCT 116 C73(1.02); C62(1.02); C69(1.02); C35(1.09)  LDD0603  [11]
 LDCM0287  AC27 HCT 116 C32(1.18); C73(1.20); C35(1.22); C62(1.39)  LDD0604  [11]
 LDCM0288  AC28 HCT 116 C62(1.16); C69(1.16); C35(1.16); C73(1.25)  LDD0605  [11]
 LDCM0289  AC29 HCT 116 C62(1.08); C69(1.08); C35(1.19); C73(1.20)  LDD0606  [11]
 LDCM0290  AC3 HCT 116 C62(0.95); C69(0.95); C35(1.06); C32(1.08)  LDD0607  [11]
 LDCM0291  AC30 HCT 116 C73(1.17); C35(1.30); C32(1.38); C62(1.42)  LDD0608  [11]
 LDCM0292  AC31 HCT 116 C35(1.14); C62(1.15); C69(1.15); C32(1.20)  LDD0609  [11]
 LDCM0293  AC32 HCT 116 C62(1.18); C69(1.18); C35(1.40); C73(1.45)  LDD0610  [11]
 LDCM0294  AC33 HCT 116 C32(1.28); C73(1.28); C35(1.31); C62(1.37)  LDD0611  [11]
 LDCM0295  AC34 HCT 116 C32(1.34); C62(1.38); C69(1.38); C73(1.43)  LDD0612  [11]
 LDCM0296  AC35 HCT 116 C35(0.90); C73(0.92); C32(0.97); C62(1.08)  LDD0613  [11]
 LDCM0297  AC36 HCT 116 C35(0.77); C32(0.95); C73(0.96); C62(1.15)  LDD0614  [11]
 LDCM0298  AC37 HCT 116 C35(0.83); C73(0.91); C32(0.97); C62(1.34)  LDD0615  [11]
 LDCM0299  AC38 HCT 116 C62(0.82); C69(0.82); C35(0.85); C73(0.96)  LDD0616  [11]
 LDCM0300  AC39 HCT 116 C35(0.96); C73(1.03); C32(1.05); C62(1.12)  LDD0617  [11]
 LDCM0301  AC4 HCT 116 C62(1.06); C69(1.06); C35(1.11); C32(1.12)  LDD0618  [11]
 LDCM0302  AC40 HCT 116 C62(1.04); C69(1.04); C35(1.05); C73(1.08)  LDD0619  [11]
 LDCM0303  AC41 HCT 116 C35(0.78); C62(0.93); C69(0.93); C32(0.97)  LDD0620  [11]
 LDCM0304  AC42 HCT 116 C35(0.96); C73(1.03); C62(1.09); C69(1.09)  LDD0621  [11]
 LDCM0305  AC43 HCT 116 C35(1.00); C73(1.06); C62(1.07); C69(1.07)  LDD0622  [11]
 LDCM0306  AC44 HCT 116 C35(0.93); C32(1.02); C73(1.03); C62(1.22)  LDD0623  [11]
 LDCM0307  AC45 HCT 116 C73(1.12); C62(1.16); C69(1.16); C32(1.19)  LDD0624  [11]
 LDCM0308  AC46 HCT 116 C35(0.90); C73(1.00); C32(1.01)  LDD0625  [11]
 LDCM0309  AC47 HCT 116 C35(0.85); C32(0.90); C73(1.05)  LDD0626  [11]
 LDCM0310  AC48 HCT 116 C35(0.92); C32(0.94); C73(1.07)  LDD0627  [11]
 LDCM0311  AC49 HCT 116 C73(1.35); C32(1.42); C35(1.46)  LDD0628  [11]
 LDCM0312  AC5 HCT 116 C62(0.86); C69(0.86); C32(1.18); C35(1.23)  LDD0629  [11]
 LDCM0313  AC50 HCT 116 C73(1.26); C32(1.30); C35(1.35)  LDD0630  [11]
 LDCM0314  AC51 HCT 116 C35(0.83); C73(0.84); C32(0.99)  LDD0631  [11]
 LDCM0315  AC52 HCT 116 C35(0.95); C32(0.99); C73(1.06)  LDD0632  [11]
 LDCM0316  AC53 HCT 116 C73(1.06); C35(1.26); C32(1.28)  LDD0633  [11]
 LDCM0317  AC54 HCT 116 C73(1.11); C32(1.23); C35(1.31)  LDD0634  [11]
 LDCM0318  AC55 HCT 116 C73(1.21); C32(1.33); C35(1.42)  LDD0635  [11]
 LDCM0319  AC56 HCT 116 C73(1.45); C32(1.75); C35(2.13)  LDD0636  [11]
 LDCM0320  AC57 HCT 116 C32(1.23); C73(1.36); C35(1.37); C62(1.49)  LDD0637  [11]
 LDCM0321  AC58 HCT 116 C32(1.23); C35(1.33); C73(1.46); C62(1.48)  LDD0638  [11]
 LDCM0322  AC59 HCT 116 C32(1.36); C73(1.50); C35(1.57); C62(1.73)  LDD0639  [11]
 LDCM0323  AC6 HCT 116 C73(1.19); C62(1.26); C69(1.26); C35(1.34)  LDD0640  [11]
 LDCM0324  AC60 HCT 116 C62(1.24); C69(1.24); C32(1.34); C73(1.39)  LDD0641  [11]
 LDCM0325  AC61 HCT 116 C32(1.19); C73(1.35); C35(1.38); C62(1.47)  LDD0642  [11]
 LDCM0326  AC62 HCT 116 C73(1.26); C32(1.42); C62(1.47); C69(1.47)  LDD0643  [11]
 LDCM0327  AC63 HCT 116 C62(1.10); C69(1.10); C32(1.29); C73(1.32)  LDD0644  [11]
 LDCM0328  AC64 HCT 116 C32(1.35); C73(1.46); C35(1.59); C62(1.71)  LDD0645  [11]
 LDCM0329  AC65 HCT 116 C32(1.36); C73(1.56); C35(1.56); C62(1.95)  LDD0646  [11]
 LDCM0330  AC66 HCT 116 C32(1.31); C35(1.49); C73(1.51); C62(2.15)  LDD0647  [11]
 LDCM0331  AC67 HCT 116 C32(1.50); C73(1.76); C35(1.79); C62(1.85)  LDD0648  [11]
 LDCM0332  AC68 HCT 116 C62(0.73); C69(0.73); C32(1.00); C35(1.09)  LDD0649  [11]
 LDCM0333  AC69 HCT 116 C62(0.69); C69(0.69); C32(0.96); C35(1.09)  LDD0650  [11]
 LDCM0334  AC7 HCT 116 C62(0.98); C69(0.98); C73(1.08); C35(1.14)  LDD0651  [11]
 LDCM0335  AC70 HCT 116 C62(0.76); C69(0.76); C35(0.90); C32(0.97)  LDD0652  [11]
 LDCM0336  AC71 HCT 116 C62(0.70); C69(0.70); C32(0.84); C35(0.86)  LDD0653  [11]
 LDCM0337  AC72 HCT 116 C62(0.83); C69(0.83); C32(1.02); C35(1.08)  LDD0654  [11]
 LDCM0338  AC73 HCT 116 C32(1.15); C35(1.31); C62(0.68); C69(0.68)  LDD0655  [11]
 LDCM0339  AC74 HCT 116 C62(0.80); C69(0.80); C32(1.10); C35(1.30)  LDD0656  [11]
 LDCM0340  AC75 HCT 116 C62(0.86); C69(0.86); C32(1.47); C73(1.61)  LDD0657  [11]
 LDCM0341  AC76 HCT 116 C62(0.69); C69(0.69); C32(1.02); C35(1.14)  LDD0658  [11]
 LDCM0342  AC77 HCT 116 C62(0.67); C69(0.67); C32(1.03); C35(1.07)  LDD0659  [11]
 LDCM0343  AC78 HCT 116 C62(0.70); C69(0.70); C32(0.89); C35(0.94)  LDD0660  [11]
 LDCM0344  AC79 HCT 116 C32(0.95); C35(0.98); C62(1.00); C69(1.00)  LDD0661  [11]
 LDCM0345  AC8 HCT 116 C73(1.18); C62(1.29); C69(1.29); C35(1.32)  LDD0662  [11]
 LDCM0346  AC80 HCT 116 C62(0.78); C69(0.78); C32(0.98); C73(1.12)  LDD0663  [11]
 LDCM0347  AC81 HCT 116 C62(0.63); C69(0.63); C35(0.92); C32(0.97)  LDD0664  [11]
 LDCM0348  AC82 HCT 116 C62(0.95); C69(0.95); C32(1.35); C73(1.59)  LDD0665  [11]
 LDCM0349  AC83 HCT 116 C62(1.30); C69(1.30); C73(1.51); C32(1.68)  LDD0666  [11]
 LDCM0350  AC84 HCT 116 C62(1.04); C69(1.04); C73(1.47); C32(1.58)  LDD0667  [11]
 LDCM0351  AC85 HCT 116 C62(0.86); C69(0.86); C73(1.25); C32(1.33)  LDD0668  [11]
 LDCM0352  AC86 HCT 116 C62(1.00); C69(1.00); C73(1.15); C32(1.26)  LDD0669  [11]
 LDCM0353  AC87 HCT 116 C62(0.83); C69(0.83); C73(1.01); C32(1.11)  LDD0670  [11]
 LDCM0354  AC88 HCT 116 C62(1.01); C69(1.01); C73(1.11); C32(1.16)  LDD0671  [11]
 LDCM0355  AC89 HCT 116 C62(1.08); C69(1.08); C32(1.20); C73(1.21)  LDD0672  [11]
 LDCM0357  AC90 HCT 116 C73(0.93); C32(1.07); C35(1.12); C62(1.17)  LDD0674  [11]
 LDCM0358  AC91 HCT 116 C62(1.44); C69(1.44); C32(1.45); C73(1.45)  LDD0675  [11]
 LDCM0359  AC92 HCT 116 C32(1.24); C73(1.34); C62(1.36); C69(1.36)  LDD0676  [11]
 LDCM0360  AC93 HCT 116 C62(0.97); C69(0.97); C73(1.13); C32(1.15)  LDD0677  [11]
 LDCM0361  AC94 HCT 116 C62(0.90); C69(0.90); C73(1.10); C35(1.24)  LDD0678  [11]
 LDCM0362  AC95 HCT 116 C62(0.83); C69(0.83); C73(1.05); C35(1.25)  LDD0679  [11]
 LDCM0363  AC96 HCT 116 C62(0.96); C69(0.96); C73(1.17); C35(1.43)  LDD0680  [11]
 LDCM0364  AC97 HCT 116 C62(0.87); C69(0.87); C73(1.28); C32(1.70)  LDD0681  [11]
 LDCM0365  AC98 HCT 116 C32(1.25); C35(1.31); C73(1.38)  LDD0682  [11]
 LDCM0366  AC99 HCT 116 C35(0.77); C32(0.94); C73(1.02)  LDD0683  [11]
 LDCM0248  AKOS034007472 HCT 116 C35(1.21); C32(1.07); C62(1.17); C69(1.17)  LDD0565  [11]
 LDCM0356  AKOS034007680 HCT 116 C73(1.08); C62(1.16); C69(1.16); C35(1.32)  LDD0673  [11]
 LDCM0275  AKOS034007705 HCT 116 C73(1.32); C32(1.49); C62(1.76); C69(1.76)  LDD0592  [11]
 LDCM0156  Aniline NCI-H1299 15.00  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C73(1.01); C62(0.94); C69(0.94); C32(0.85)  LDD0078  [11]
 LDCM0630  CCW28-3 231MFP C32(1.21); C35(1.02)  LDD2214  [32]
 LDCM0108  Chloroacetamide HeLa H43(0.00); C73(0.00); C35(0.00)  LDD0222  [27]
 LDCM0632  CL-Sc Hep-G2 C73(1.08); C73(0.85); C73(0.82)  LDD2227  [20]
 LDCM0367  CL1 HCT 116 C62(0.57); C69(0.57); C73(0.84); C32(2.81)  LDD0684  [11]
 LDCM0368  CL10 HCT 116 C62(0.71); C69(0.71); C73(1.10); C32(3.82)  LDD0685  [11]
 LDCM0369  CL100 HCT 116 C62(0.85); C69(0.85); C73(1.20); C32(1.25)  LDD0686  [11]
 LDCM0370  CL101 HCT 116 C62(1.05); C69(1.05); C73(1.13); C32(2.00)  LDD0687  [11]
 LDCM0371  CL102 HCT 116 C62(0.73); C69(0.73); C73(1.01); C32(1.99)  LDD0688  [11]
 LDCM0372  CL103 HCT 116 C62(0.73); C69(0.73); C73(0.92); C32(1.58)  LDD0689  [11]
 LDCM0373  CL104 HCT 116 C73(0.98); C62(1.06); C69(1.06); C32(1.36)  LDD0690  [11]
 LDCM0374  CL105 HCT 116 C62(0.79); C69(0.79); C73(1.17); C32(1.48)  LDD0691  [11]
 LDCM0375  CL106 HCT 116 C62(1.05); C69(1.05); C32(1.38); C73(1.47)  LDD0692  [11]
 LDCM0376  CL107 HCT 116 C62(0.80); C69(0.80); C73(1.34); C32(1.65)  LDD0693  [11]
 LDCM0377  CL108 HCT 116 C62(0.80); C69(0.80); C73(1.41); C32(10.69)  LDD0694  [11]
 LDCM0378  CL109 HCT 116 C62(0.87); C69(0.87); C73(1.10); C32(1.30)  LDD0695  [11]
 LDCM0379  CL11 HCT 116 C62(0.54); C69(0.54); C73(1.21); C32(4.62)  LDD0696  [11]
 LDCM0380  CL110 HCT 116 C62(0.74); C69(0.74); C73(1.09); C32(1.48)  LDD0697  [11]
 LDCM0381  CL111 HCT 116 C62(0.47); C69(0.47); C73(1.15); C32(1.89)  LDD0698  [11]
 LDCM0382  CL112 HCT 116 C62(0.89); C69(0.89); C73(1.10); C32(1.53)  LDD0699  [11]
 LDCM0383  CL113 HCT 116 C35(1.31); C32(1.38); C73(1.40); C62(1.42)  LDD0700  [11]
 LDCM0384  CL114 HCT 116 C62(0.82); C69(0.82); C73(1.14); C32(1.52)  LDD0701  [11]
 LDCM0385  CL115 HCT 116 C62(0.78); C69(0.78); C73(1.29); C32(10.38)  LDD0702  [11]
 LDCM0386  CL116 HCT 116 C62(1.10); C69(1.10); C73(1.20); C32(1.87)  LDD0703  [11]
 LDCM0387  CL117 HCT 116 C62(1.22); C69(1.22); C73(1.34); C32(2.08)  LDD0704  [11]
 LDCM0388  CL118 HCT 116 C62(0.72); C69(0.72); C73(0.96); C32(2.12)  LDD0705  [11]
 LDCM0389  CL119 HCT 116 C73(1.04); C62(1.06); C69(1.06); C32(1.29)  LDD0706  [11]
 LDCM0390  CL12 HCT 116 C62(0.94); C69(0.94); C73(1.19); C32(1.77)  LDD0707  [11]
 LDCM0391  CL120 HCT 116 C73(0.94); C62(0.99); C69(0.99); C35(1.08)  LDD0708  [11]
 LDCM0392  CL121 HCT 116 C73(1.02); C32(3.18); C35(4.12)  LDD0709  [11]
 LDCM0393  CL122 HCT 116 C73(1.12); C32(2.18); C35(2.22)  LDD0710  [11]
 LDCM0394  CL123 HCT 116 C73(1.18); C32(2.79); C35(3.42)  LDD0711  [11]
 LDCM0395  CL124 HCT 116 C73(1.21); C32(1.91); C35(2.16)  LDD0712  [11]
 LDCM0396  CL125 HCT 116 C62(0.66); C69(0.66); C73(1.06); C32(1.79)  LDD0713  [11]
 LDCM0397  CL126 HCT 116 C62(0.85); C69(0.85); C73(1.17); C32(13.24)  LDD0714  [11]
 LDCM0398  CL127 HCT 116 C62(0.80); C69(0.80); C73(1.11); C32(2.56)  LDD0715  [11]
 LDCM0399  CL128 HCT 116 C73(1.35); C62(1.46); C69(1.46); C32(1.49)  LDD0716  [11]
 LDCM0400  CL13 HCT 116 C62(0.80); C69(0.80); C73(1.01); C32(3.20)  LDD0717  [11]
 LDCM0401  CL14 HCT 116 C62(0.64); C69(0.64); C73(0.90); C32(1.91)  LDD0718  [11]
 LDCM0402  CL15 HCT 116 C62(0.85); C69(0.85); C73(1.02); C35(1.73)  LDD0719  [11]
 LDCM0403  CL16 HCT 116 C73(1.10); C62(1.34); C69(1.34); C32(2.01)  LDD0720  [11]
 LDCM0404  CL17 HCT 116 C62(0.75); C69(0.75); C73(1.12); C32(1.93)  LDD0721  [11]
 LDCM0405  CL18 HCT 116 C62(1.04); C69(1.04); C73(1.20); C32(1.51)  LDD0722  [11]
 LDCM0406  CL19 HCT 116 C62(0.95); C69(0.95); C73(1.14); C32(1.82)  LDD0723  [11]
 LDCM0407  CL2 HCT 116 C62(0.64); C69(0.64); C73(0.89); C32(3.27)  LDD0724  [11]
 LDCM0408  CL20 HCT 116 C62(1.18); C69(1.18); C73(1.23); C32(1.77)  LDD0725  [11]
 LDCM0409  CL21 HCT 116 C62(1.04); C69(1.04); C73(1.34); C32(1.44)  LDD0726  [11]
 LDCM0410  CL22 HCT 116 C62(1.49); C69(1.49); C73(1.51); C32(3.67)  LDD0727  [11]
 LDCM0411  CL23 HCT 116 C73(1.15); C32(1.19); C35(1.26); C62(1.46)  LDD0728  [11]
 LDCM0412  CL24 HCT 116 C32(1.41); C35(2.05); C62(1.40); C69(1.40)  LDD0729  [11]
 LDCM0413  CL25 HCT 116 C35(3.19); C32(1.97); C62(1.24); C69(1.24)  LDD0730  [11]
 LDCM0414  CL26 HCT 116 C35(2.27); C32(1.70); C62(0.94); C69(0.94)  LDD0731  [11]
 LDCM0415  CL27 HCT 116 C35(4.85); C32(3.34); C62(0.95); C69(0.95)  LDD0732  [11]
 LDCM0416  CL28 HCT 116 C35(7.06); C32(5.76); C62(0.79); C69(0.79)  LDD0733  [11]
 LDCM0417  CL29 HCT 116 C35(1.61); C32(1.27); C62(1.78); C69(1.78)  LDD0734  [11]
 LDCM0418  CL3 HCT 116 C35(1.60); C32(1.42); C62(0.83); C69(0.83)  LDD0735  [11]
 LDCM0419  CL30 HCT 116 C35(1.27); C32(1.14); C62(1.28); C69(1.28)  LDD0736  [11]
 LDCM0420  CL31 HCT 116 C35(6.04); C32(4.27); C62(0.85); C69(0.85)  LDD0737  [11]
 LDCM0421  CL32 HCT 116 C35(2.38); C32(1.94); C62(0.73); C69(0.73)  LDD0738  [11]
 LDCM0422  CL33 HCT 116 C35(5.21); C32(4.26); C62(0.39); C69(0.39)  LDD0739  [11]
 LDCM0423  CL34 HCT 116 C35(4.06); C32(3.19); C62(0.65); C69(0.65)  LDD0740  [11]
 LDCM0424  CL35 HCT 116 C35(2.40); C32(1.82); C62(0.87); C69(0.87)  LDD0741  [11]
 LDCM0425  CL36 HCT 116 C35(4.56); C32(3.44); C62(0.65); C69(0.65)  LDD0742  [11]
 LDCM0426  CL37 HCT 116 C35(2.08); C32(1.80); C62(0.90); C69(0.90)  LDD0743  [11]
 LDCM0428  CL39 HCT 116 C35(7.47); C32(5.22); C62(0.78); C69(0.78)  LDD0745  [11]
 LDCM0429  CL4 HCT 116 C35(2.47); C32(2.19); C62(0.59); C69(0.59)  LDD0746  [11]
 LDCM0430  CL40 HCT 116 C35(2.62); C32(2.15); C62(0.72); C69(0.72)  LDD0747  [11]
 LDCM0431  CL41 HCT 116 C35(2.58); C32(1.92); C62(0.91); C69(0.91)  LDD0748  [11]
 LDCM0432  CL42 HCT 116 C35(2.38); C32(1.99); C62(1.20); C69(1.20)  LDD0749  [11]
 LDCM0433  CL43 HCT 116 C35(2.81); C32(2.28); C62(1.01); C69(1.01)  LDD0750  [11]
 LDCM0434  CL44 HCT 116 C35(3.10); C32(2.46); C62(0.63); C69(0.63)  LDD0751  [11]
 LDCM0435  CL45 HCT 116 C35(3.60); C32(2.66); C62(0.66); C69(0.66)  LDD0752  [11]
 LDCM0436  CL46 HCT 116 C35(2.29); C32(2.17); C62(0.62); C69(0.62)  LDD0753  [11]
 LDCM0437  CL47 HCT 116 C35(2.91); C32(2.56); C62(0.55); C69(0.55)  LDD0754  [11]
 LDCM0438  CL48 HCT 116 C35(0.98); C32(0.93); C62(0.81); C69(0.81)  LDD0755  [11]
 LDCM0439  CL49 HCT 116 C35(1.62); C32(1.24); C62(0.72); C69(0.72)  LDD0756  [11]
 LDCM0440  CL5 HCT 116 C35(1.56); C32(1.38); C62(0.87); C69(0.87)  LDD0757  [11]
 LDCM0441  CL50 HCT 116 C35(1.32); C32(1.05); C62(0.76); C69(0.76)  LDD0758  [11]
 LDCM0442  CL51 HCT 116 C35(0.89); C32(0.87); C62(1.22); C69(1.22)  LDD0759  [11]
 LDCM0443  CL52 HCT 116 C35(1.16); C32(1.09); C62(0.97); C69(0.97)  LDD0760  [11]
 LDCM0444  CL53 HCT 116 C35(1.23); C32(1.01); C62(0.94); C69(0.94)  LDD0761  [11]
 LDCM0445  CL54 HCT 116 C35(1.83); C32(1.42); C62(0.51); C69(0.51)  LDD0762  [11]
 LDCM0446  CL55 HCT 116 C35(1.58); C32(1.34); C62(0.71); C69(0.71)  LDD0763  [11]
 LDCM0447  CL56 HCT 116 C35(2.94); C32(2.63); C62(0.80); C69(0.80)  LDD0764  [11]
 LDCM0448  CL57 HCT 116 C35(2.16); C32(2.01); C62(0.40); C69(0.40)  LDD0765  [11]
 LDCM0449  CL58 HCT 116 C35(1.01); C32(0.98); C62(0.94); C69(0.94)  LDD0766  [11]
 LDCM0450  CL59 HCT 116 C35(1.40); C32(1.12); C62(0.72); C69(0.72)  LDD0767  [11]
 LDCM0451  CL6 HCT 116 C35(1.55); C32(1.43); C62(0.73); C69(0.73)  LDD0768  [11]
 LDCM0452  CL60 HCT 116 C35(3.16); C32(2.77); C62(0.42); C69(0.42)  LDD0769  [11]
 LDCM0453  CL61 HCT 116 C35(1.25); C32(1.30); C62(0.79); C69(0.79)  LDD0770  [11]
 LDCM0454  CL62 HCT 116 C35(4.32); C32(3.65); C62(0.52); C69(0.52)  LDD0771  [11]
 LDCM0455  CL63 HCT 116 C35(2.01); C32(1.59); C62(0.61); C69(0.61)  LDD0772  [11]
 LDCM0456  CL64 HCT 116 C35(1.70); C32(1.56); C62(0.72); C69(0.72)  LDD0773  [11]
 LDCM0457  CL65 HCT 116 C35(2.40); C32(2.39); C62(0.73); C69(0.73)  LDD0774  [11]
 LDCM0458  CL66 HCT 116 C35(8.51); C32(6.88); C62(0.55); C69(0.55)  LDD0775  [11]
 LDCM0459  CL67 HCT 116 C35(1.84); C32(1.71); C62(0.94); C69(0.94)  LDD0776  [11]
 LDCM0460  CL68 HCT 116 C35(3.44); C32(3.13); C62(0.49); C69(0.49)  LDD0777  [11]
 LDCM0461  CL69 HCT 116 C35(2.71); C32(2.55); C62(0.37); C69(0.37)  LDD0778  [11]
 LDCM0462  CL7 HCT 116 C35(8.93); C32(8.41); C62(0.71); C69(0.71)  LDD0779  [11]
 LDCM0463  CL70 HCT 116 C35(1.68); C32(1.58); C62(0.51); C69(0.51)  LDD0780  [11]
 LDCM0464  CL71 HCT 116 C35(1.85); C32(1.66); C62(0.46); C69(0.46)  LDD0781  [11]
 LDCM0465  CL72 HCT 116 C35(1.23); C32(1.27); C62(0.81); C69(0.81)  LDD0782  [11]
 LDCM0466  CL73 HCT 116 C35(1.87); C32(1.61); C62(0.50); C69(0.50)  LDD0783  [11]
 LDCM0467  CL74 HCT 116 C35(2.14); C32(1.86); C62(0.57); C69(0.57)  LDD0784  [11]
 LDCM0469  CL76 HCT 116 C35(1.35); C32(1.33); C62(1.15); C69(1.15)  LDD0786  [11]
 LDCM0470  CL77 HCT 116 C35(1.56); C32(1.42); C62(0.60); C69(0.60)  LDD0787  [11]
 LDCM0471  CL78 HCT 116 C35(2.66); C32(1.99); C62(1.30); C69(1.30)  LDD0788  [11]
 LDCM0472  CL79 HCT 116 C35(2.91); C32(2.33); C62(0.80); C69(0.80)  LDD0789  [11]
 LDCM0473  CL8 HCT 116 C35(4.67); C32(5.12); C62(0.45); C69(0.45)  LDD0790  [11]
 LDCM0474  CL80 HCT 116 C35(1.61); C32(1.56); C62(1.13); C69(1.13)  LDD0791  [11]
 LDCM0475  CL81 HCT 116 C35(2.82); C32(2.38); C62(0.60); C69(0.60)  LDD0792  [11]
 LDCM0476  CL82 HCT 116 C35(2.96); C32(2.22); C62(1.14); C69(1.14)  LDD0793  [11]
 LDCM0477  CL83 HCT 116 C35(2.29); C32(1.74); C62(0.74); C69(0.74)  LDD0794  [11]
 LDCM0478  CL84 HCT 116 C35(2.87); C32(1.93); C62(1.12); C69(1.12)  LDD0795  [11]
 LDCM0479  CL85 HCT 116 C35(2.01); C32(1.58); C62(0.82); C69(0.82)  LDD0796  [11]
 LDCM0480  CL86 HCT 116 C35(2.15); C32(1.92); C62(0.67); C69(0.67)  LDD0797  [11]
 LDCM0481  CL87 HCT 116 C35(11.96); C32(6.47); C62(0.72); C69(0.72)  LDD0798  [11]
 LDCM0482  CL88 HCT 116 C35(2.24); C32(1.59); C62(1.46); C69(1.46)  LDD0799  [11]
 LDCM0483  CL89 HCT 116 C35(3.85); C32(2.46); C62(1.19); C69(1.19)  LDD0800  [11]
 LDCM0484  CL9 HCT 116 C35(2.65); C32(2.41); C62(0.72); C69(0.72)  LDD0801  [11]
 LDCM0485  CL90 HCT 116 C35(5.38); C32(4.05); C62(0.29); C69(0.29)  LDD0802  [11]
 LDCM0486  CL91 HCT 116 C35(3.06); C32(2.54); C62(0.46); C69(0.46)  LDD0803  [11]
 LDCM0487  CL92 HCT 116 C35(2.50); C32(1.97); C62(0.42); C69(0.42)  LDD0804  [11]
 LDCM0488  CL93 HCT 116 C35(2.86); C32(2.17); C62(0.40); C69(0.40)  LDD0805  [11]
 LDCM0489  CL94 HCT 116 C35(2.18); C32(2.53); C62(0.86); C69(0.86)  LDD0806  [11]
 LDCM0490  CL95 HCT 116 C35(2.38); C32(1.78); C62(0.84); C69(0.84)  LDD0807  [11]
 LDCM0491  CL96 HCT 116 C35(1.37); C32(1.28); C62(0.94); C69(0.94)  LDD0808  [11]
 LDCM0492  CL97 HCT 116 C35(1.55); C32(1.27); C62(0.73); C69(0.73)  LDD0809  [11]
 LDCM0493  CL98 HCT 116 C35(3.33); C32(2.36); C62(0.45); C69(0.45)  LDD0810  [11]
 LDCM0494  CL99 HCT 116 C35(6.76); C32(5.34); C62(1.46); C69(1.46)  LDD0811  [11]
 LDCM0634  CY-0357 Hep-G2 C73(0.61); C73(0.53)  LDD2228  [20]
 LDCM0495  E2913 HEK-293T C73(1.31); C32(1.29); C35(1.04); C69(1.13)  LDD1698  [33]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C32(1.41); C73(1.02)  LDD1702  [5]
 LDCM0175  Ethacrynic acid HeLa C73(0.76)  LDD2210  [10]
 LDCM0625  F8 Ramos C73(1.49)  LDD2187  [34]
 LDCM0572  Fragment10 MDA-MB-231 C32(20.00)  LDD1389  [35]
 LDCM0573  Fragment11 MDA-MB-231 C32(20.00)  LDD1391  [35]
 LDCM0574  Fragment12 MDA-MB-231 C32(2.15)  LDD1393  [35]
 LDCM0575  Fragment13 MDA-MB-231 C32(4.23)  LDD1395  [35]
 LDCM0576  Fragment14 MDA-MB-231 C32(1.38)  LDD1397  [35]
 LDCM0577  Fragment15 MDA-MB-231 C32(1.02)  LDD1399  [35]
 LDCM0579  Fragment20 MDA-MB-231 C32(1.97)  LDD1402  [35]
 LDCM0580  Fragment21 MDA-MB-231 C32(2.24)  LDD1404  [35]
 LDCM0581  Fragment22 MDA-MB-231 C32(3.54)  LDD1406  [35]
 LDCM0582  Fragment23 MDA-MB-231 C32(2.26)  LDD1408  [35]
 LDCM0583  Fragment24 Ramos C32(1.40)  LDD1410  [35]
 LDCM0584  Fragment25 MDA-MB-231 C32(0.95)  LDD1411  [35]
 LDCM0585  Fragment26 Ramos C32(1.05)  LDD1412  [35]
 LDCM0578  Fragment27 MDA-MB-231 C32(0.95)  LDD1401  [35]
 LDCM0586  Fragment28 MDA-MB-231 C32(2.80)  LDD1415  [35]
 LDCM0587  Fragment29 MDA-MB-231 C32(1.27)  LDD1417  [35]
 LDCM0588  Fragment30 MDA-MB-231 C32(20.00)  LDD1419  [35]
 LDCM0589  Fragment31 MDA-MB-231 C32(1.41)  LDD1421  [35]
 LDCM0590  Fragment32 MDA-MB-231 C32(20.00)  LDD1423  [35]
 LDCM0468  Fragment33 HCT 116 C35(3.93); C32(3.57); C62(0.51); C69(0.51)  LDD0785  [11]
 LDCM0592  Fragment34 MDA-MB-231 C32(1.48)  LDD1427  [35]
 LDCM0593  Fragment35 MDA-MB-231 C32(1.12)  LDD1429  [35]
 LDCM0594  Fragment36 MDA-MB-231 C32(20.00)  LDD1431  [35]
 LDCM0595  Fragment37 Ramos C32(1.15)  LDD1432  [35]
 LDCM0596  Fragment38 MDA-MB-231 C32(1.20)  LDD1433  [35]
 LDCM0597  Fragment39 MDA-MB-231 C32(0.96)  LDD1435  [35]
 LDCM0566  Fragment4 MDA-MB-231 C32(1.77)  LDD1378  [35]
 LDCM0598  Fragment40 MDA-MB-231 C32(0.96)  LDD1436  [35]
 LDCM0599  Fragment41 MDA-MB-231 C32(1.14)  LDD1438  [35]
 LDCM0600  Fragment42 Ramos C32(1.35)  LDD1440  [35]
 LDCM0601  Fragment43 MDA-MB-231 C32(2.13)  LDD1441  [35]
 LDCM0602  Fragment44 MDA-MB-231 C32(2.22)  LDD1443  [35]
 LDCM0603  Fragment45 MDA-MB-231 C32(20.00)  LDD1444  [35]
 LDCM0604  Fragment46 MDA-MB-231 C32(1.02)  LDD1445  [35]
 LDCM0605  Fragment47 MDA-MB-231 C32(1.05)  LDD1446  [35]
 LDCM0606  Fragment48 MDA-MB-231 C32(1.16)  LDD1447  [35]
 LDCM0607  Fragment49 MDA-MB-231 C32(3.06)  LDD1448  [35]
 LDCM0608  Fragment50 MDA-MB-231 C32(6.38)  LDD1449  [35]
 LDCM0427  Fragment51 HCT 116 C35(4.83); C32(3.35); C62(1.21); C69(1.21)  LDD0744  [11]
 LDCM0610  Fragment52 MDA-MB-231 C32(1.04)  LDD1452  [35]
 LDCM0611  Fragment53 MDA-MB-231 C32(0.92)  LDD1454  [35]
 LDCM0612  Fragment54 MDA-MB-231 C32(2.86)  LDD1456  [35]
 LDCM0613  Fragment55 MDA-MB-231 C32(1.51)  LDD1457  [35]
 LDCM0614  Fragment56 MDA-MB-231 C32(1.02)  LDD1458  [35]
 LDCM0568  Fragment6 MDA-MB-231 C32(1.51)  LDD1382  [35]
 LDCM0569  Fragment7 Ramos C32(2.04)  LDD1384  [35]
 LDCM0570  Fragment8 MDA-MB-231 C32(2.45)  LDD1385  [35]
 LDCM0571  Fragment9 MDA-MB-231 C32(2.85)  LDD1387  [35]
 LDCM0107  IAA HeLa N.A.  LDD0221  [27]
 LDCM0179  JZ128 PC-3 N.A.  LDD0462  [8]
 LDCM0022  KB02 HCT 116 C62(1.37); C69(1.37); C35(1.38); C73(1.36)  LDD0080  [11]
 LDCM0023  KB03 HCT 116 C62(1.31); C69(1.31); C35(1.42); C73(1.06)  LDD0081  [11]
 LDCM0024  KB05 HCT 116 C62(2.45); C69(2.45); C35(1.26); C73(1.20)  LDD0082  [11]
 LDCM0109  NEM HeLa N.A.  LDD0223  [27]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C35(1.08)  LDD2101  [5]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C73(0.99)  LDD2114  [5]
 LDCM0627  NUDT7-COV-1 HEK-293T C32(1.63); C73(1.10); C32(0.40)  LDD2206  [36]
 LDCM0628  OTUB2-COV-1 HEK-293T C73(1.00); C73(0.82); C32(0.43)  LDD2207  [36]
 LDCM0131  RA190 MM1.R C32(1.52); C35(1.52); C73(1.08)  LDD0304  [37]
 LDCM0170  Structure8 Ramos 5.13  LDD0433  [38]
 LDCM0021  THZ1 HeLa S3 C73(1.15)  LDD0460  [8]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 13 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Maspardin (SPG21) AB hydrolase superfamily Q9NZD8
NADH dehydrogenase flavoprotein 2, mitochondrial (NDUFV2) Complex I 24 kDa subunit family P19404
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) Glyceraldehyde-3-phosphate dehydrogenase family P04406
NIF3-like protein 1 (NIF3L1) GTP cyclohydrolase I type 2/NIF3 family Q9GZT8
Heat shock protein HSP 90-alpha (HSP90AA1) Heat shock protein 90 family P07900
Caspase-3 (CASP3) Peptidase C14A family P42574
COP9 signalosome complex subunit 5 (COPS5) Peptidase M67A family Q92905
Peroxiredoxin-2 (PRDX2) Peroxiredoxin family P32119
RAC-alpha serine/threonine-protein kinase (AKT1) AGC Ser/Thr protein kinase family P31749
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5) STE Ser/Thr protein kinase family Q99683
Epidermal growth factor receptor (EGFR) Tyr protein kinase family P00533
Tyrosine-protein phosphatase non-receptor type 1 (PTPN1) Protein-tyrosine phosphatase family P18031
TNF receptor-associated factor 2 (TRAF2) TNF receptor-associated factor family Q12933
Transporter and channel
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Thioredoxin-interacting protein (TXNIP) Arrestin family Q9H3M7
Junctophilin-3 (JPH3) Junctophilin family Q8WXH2
Nuclear pore glycoprotein p62 (NUP62) Nucleoporin NSP1/NUP62 family P37198
Other
Click To Hide/Show 11 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Alpha-actinin-1 (ACTN1) Alpha-actinin family P12814
DNA damage-inducible transcript 4-like protein (DDIT4L) DDIT4 family Q96D03
Glial fibrillary acidic protein (GFAP) Intermediate filament family P14136
MORF4 family-associated protein 1 (MRFAP1) MORF4 family-associated protein family Q9Y605
Alpha-2-macroglobulin (A2M) Protease inhibitor I39 (alpha-2-macroglobulin) family P01023
Testis-expressed protein 13A (TEX13A) TEX13 family Q9BXU3
Follistatin (FST) . P19883
Methyl-CpG-binding protein 2 (MECP2) . P51608
Myeloid differentiation primary response protein MyD88 (MYD88) . Q99836
SERTA domain-containing protein 3 (SERTAD3) . Q9UJW9
Sprouty-related, EVH1 domain-containing protein 1 (SPRED1) . Q7Z699

The Drug(s) Related To This Target

Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Px-12 Small molecular drug D04JTD
Investigative
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Acetate Ion Small molecular drug D0F2ME
Cacodylate Ion Small molecular drug D09TVP
Phenethyl Isothiocyanate Small molecular drug DB12695

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 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.
3 2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
4 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.
5 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
6 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
7 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
8 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.
9 Chemoproteomic capture of RNA binding activity in living cells. Nat Commun. 2023 Oct 7;14(1):6282. doi: 10.1038/s41467-023-41844-z.
Mass spectrometry data entry: PXD044625
10 Chemoproteomic Profiling Reveals Ethacrynic Acid Targets Adenine Nucleotide Translocases to Impair Mitochondrial Function. Mol Pharm. 2018 Jun 4;15(6):2413-2422. doi: 10.1021/acs.molpharmaceut.8b00250. Epub 2018 May 15.
11 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.
12 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
13 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.
14 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.
15 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
16 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
17 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
18 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
19 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
20 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
21 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
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 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
24 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
25 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
26 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.
27 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.
28 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.
29 Differently Tagged Probes for Protein Profiling of Mitochondria. Chembiochem. 2019 May 2;20(9):1155-1160. doi: 10.1002/cbic.201800735. Epub 2019 Mar 26.
30 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
31 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.
32 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.
33 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
34 Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7.
Mass spectrometry data entry: PXD027578
35 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.
36 Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22.
37 Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.
38 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.