Details of the Target

General Information of Target

Target ID LDTP10954
Target Name 3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10)
Gene Name HSD17B10
Gene ID 3028
Synonyms
ERAB; HADH2; MRPP2; SCHAD; SDR5C1; XH98G2; 3-hydroxyacyl-CoA dehydrogenase type-2; EC 1.1.1.35; 17-beta-estradiol 17-dehydrogenase; EC 1.1.1.62; 2-methyl-3-hydroxybutyryl-CoA dehydrogenase; MHBD; 3-alpha-(17-beta)-hydroxysteroid dehydrogenase; NAD(+)); EC 1.1.1.239; 3-hydroxy-2-methylbutyryl-CoA dehydrogenase; EC 1.1.1.178; 3-hydroxyacyl-CoA dehydrogenase type II; 3alpha(or 20beta)-hydroxysteroid dehydrogenase; EC 1.1.1.53; 7-alpha-hydroxysteroid dehydrogenase; EC 1.1.1.159; Endoplasmic reticulum-associated amyloid beta-peptide-binding protein; Mitochondrial ribonuclease P protein 2; Mitochondrial RNase P protein 2; Short chain dehydrogenase/reductase family 5C member 1; Short-chain type dehydrogenase/reductase XH98G2; Type II HADH
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MDAIHIGMSSTPLVKHTAGAGLKANRPRVMSKSGHSNVRIDKVDGIYLLYLQDLWTTVID
MKWRYKLTLFAATFVMTWFLFGVIYYAIAFIHGDLEPGEPISNHTPCIMKVDSLTGAFLF
SLESQTTIGYGVRSITEECPHAIFLLVAQLVITTLIEIFITGTFLAKIARPKKRAETIKF
SHCAVITKQNGKLCLVIQVANMRKSLLIQCQLSGKLLQTHVTKEGERILLNQATVKFHVD
SSSESPFLILPMTFYHVLDETSPLRDLTPQNLKEKEFELVVLLNATVESTSAVCQSRTSY
IPEEIYWGFEFVPVVSLSKNGKYVADFSQFEQIRKSPDCTFYCADSEKQQLEEKYRQEDQ
RERELRTLLLQQSNV
Target Bioclass
Enzyme
Family
Short-chain dehydrogenases/reductases (SDR) family
Subcellular location
Mitochondrion
Function
Mitochondrial dehydrogenase involved in pathways of fatty acid, branched-chain amino acid and steroid metabolism. Acts as (S)-3-hydroxyacyl-CoA dehydrogenase in mitochondrial fatty acid beta-oxidation, a major degradation pathway of fatty acids. Catalyzes the third step in the beta-oxidation cycle, namely the reversible conversion of (S)-3-hydroxyacyl-CoA to 3-ketoacyl-CoA. Preferentially accepts straight medium- and short-chain acyl-CoA substrates with highest efficiency for (3S)-hydroxybutanoyl-CoA. Acts as 3-hydroxy-2-methylbutyryl-CoA dehydrogenase in branched-chain amino acid catabolic pathway. Catalyzes the oxidation of 3-hydroxy-2-methylbutanoyl-CoA into 2-methyl-3-oxobutanoyl-CoA, a step in isoleucine degradation pathway. Has hydroxysteroid dehydrogenase activity toward steroid hormones and bile acids. Catalyzes the oxidation of 3alpha-, 17beta-, 20beta- and 21-hydroxysteroids and 7alpha- and 7beta-hydroxy bile acids. Oxidizes allopregnanolone/brexanolone at the 3alpha-hydroxyl group, which is known to be critical for the activation of gamma-aminobutyric acid receptors (GABAARs) chloride channel. Has phospholipase C-like activity toward cardiolipin and its oxidized species. Likely oxidizes the 2'-hydroxyl in the head group of cardiolipin to form a ketone intermediate that undergoes nucleophilic attack by water and fragments into diacylglycerol, dihydroxyacetone and orthophosphate. Has higher affinity for cardiolipin with oxidized fatty acids and may degrade these species during the oxidative stress response to protect cells from apoptosis. By interacting with intracellular amyloid-beta, it may contribute to the neuronal dysfunction associated with Alzheimer disease (AD). Essential for structural and functional integrity of mitochondria.; In addition to mitochondrial dehydrogenase activity, moonlights as a component of mitochondrial ribonuclease P, a complex that cleaves tRNA molecules in their 5'-ends. Together with TRMT10C/MRPP1, forms a subcomplex of the mitochondrial ribonuclease P, named MRPP1-MRPP2 subcomplex, which displays functions that are independent of the ribonuclease P activity. The MRPP1-MRPP2 subcomplex catalyzes the formation of N(1)-methylguanine and N(1)-methyladenine at position 9 (m1G9 and m1A9, respectively) in tRNAs; HSD17B10/MRPP2 acting as a non-catalytic subunit. The MRPP1-MRPP2 subcomplex also acts as a tRNA maturation platform: following 5'-end cleavage by the mitochondrial ribonuclease P complex, the MRPP1-MRPP2 subcomplex enhances the efficiency of 3'-processing catalyzed by ELAC2, retains the tRNA product after ELAC2 processing and presents the nascent tRNA to the mitochondrial CCA tRNA nucleotidyltransferase TRNT1 enzyme. Associates with mitochondrial DNA complexes at the nucleoids to initiate RNA processing and ribosome assembly.
Uniprot ID
Q99714
Ensemble ID
ENST00000168216.11
HGNC ID
HGNC:4800
ChEMBL ID
CHEMBL4159

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
AGS SNV: p.A158D DBIA    Probe Info 
LNCaP clone FGC SNV: p.A170V DBIA    Probe Info 
MFE319 SNV: p.V96M DBIA    Probe Info 
MOLT4 SNV: p.A25V IA-alkyne    Probe Info 
TOV21G SNV: p.Q33H DBIA    Probe Info 

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  		15.00  LDD0402  [1]
A-EBA
 Probe Info  		3.52  LDD0215  [2]
CY-1
 Probe Info  		100.00  LDD0243  [3]
CY4
 Probe Info  		100.00  LDD0244  [3]
N1
 Probe Info  		100.00  LDD0242  [3]
W1
 Probe Info  		16.21  LDD0235  [4]
TH211
 Probe Info  		Y101(16.19); Y168(5.64)  LDD0257  [5]
TH216
 Probe Info  		Y168(13.24)  LDD0259  [5]
YN-1
 Probe Info  		100.00  LDD0444  [6]
OPA-S-S-alkyne
 Probe Info  		K105(2.63)  LDD3494  [7]
Probe 1
 Probe Info  		Y233(3.56)  LDD3495  [8]
THZ1-DTB
 Probe Info  		C214(0.84)  LDD0460  [9]
AHL-Pu-1
 Probe Info  		C214(3.11)  LDD0171  [10]
EA-probe
 Probe Info  		C214(0.94); C214(1.04)  LDD2210  [11]
HHS-482
 Probe Info  		Y168(0.91)  LDD0285  [12]
HHS-465
 Probe Info  		Y168(2.66)  LDD2237  [13]
DBIA
 Probe Info  		C214(0.90)  LDD0078  [14]
5E-2FA
 Probe Info  		N.A.  LDD2235  [15]
AMP probe
 Probe Info  		N.A.  LDD0200  [16]
ATP probe
 Probe Info  		K99(0.00); K104(0.00); K105(0.00); K53(0.00)  LDD0199  [16]
4-Iodoacetamidophenylacetylene
 Probe Info  		C58(0.00); C214(0.00); C91(0.00)  LDD0038  [17]
IA-alkyne
 Probe Info  		C214(0.00); C58(0.00); C91(0.00)  LDD0032  [18]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [19]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [19]
Lodoacetamide azide
 Probe Info  		C58(0.00); C214(0.00); C91(0.00)  LDD0037  [17]
ATP probe
 Probe Info  		N.A.  LDD0035  [20]
BTD
 Probe Info  		C58(0.00); C91(0.00)  LDD0004  [21]
JW-RF-010
 Probe Info  		C214(0.00); C91(0.00); C58(0.00); C5(0.00)  LDD0026  [22]
TFBX
 Probe Info  		C91(0.00); C58(0.00); C214(0.00)  LDD0027  [22]
WYneN
 Probe Info  		N.A.  LDD0021  [21]
WYneO
 Probe Info  		C214(0.00); C58(0.00)  LDD0022  [21]
Compound 10
 Probe Info  		C214(0.00); C58(0.00); C91(0.00)  LDD2216  [23]
Compound 11
 Probe Info  		C214(0.00); C58(0.00)  LDD2213  [23]
ENE
 Probe Info  		N.A.  LDD0006  [21]
IPM
 Probe Info  		N.A.  LDD0005  [21]
NHS
 Probe Info  		K53(0.00); K52(0.00); K105(0.00)  LDD0010  [21]
OSF
 Probe Info  		N.A.  LDD0029  [24]
PF-06672131
 Probe Info  		N.A.  LDD0017  [25]
PPMS
 Probe Info  		N.A.  LDD0008  [21]
SF
 Probe Info  		Y168(0.00); K53(0.00)  LDD0028  [24]
STPyne
 Probe Info  		N.A.  LDD0009  [21]
VSF
 Probe Info  		C91(0.00); C214(0.00); C58(0.00)  LDD0007  [21]
Phosphinate-6
 Probe Info  		C58(0.00); C214(0.00); C5(0.00); C91(0.00)  LDD0018  [26]
1c-yne
 Probe Info  		K99(0.00); K69(0.00); K9(0.00); K172(0.00)  LDD0228  [27]
Acrolein
 Probe Info  		C91(0.00); C58(0.00); H109(0.00)  LDD0217  [28]
Crotonaldehyde
 Probe Info  		C91(0.00); C214(0.00); C58(0.00); H109(0.00)  LDD0219  [28]
Methacrolein
 Probe Info  		C91(0.00); C214(0.00); C58(0.00)  LDD0218  [28]
AOyne
 Probe Info  		15.00  LDD0443  [29]
MPP-AC
 Probe Info  		N.A.  LDD0428  [30]
NAIA_5
 Probe Info  		C91(0.00); C58(0.00); C214(0.00)  LDD2223  [31]
TER-AC
 Probe Info  		N.A.  LDD0426  [30]
TPP-AC
 Probe Info  		N.A.  LDD0427  [30]
HHS-475
 Probe Info  		Y168(0.82)  LDD2238  [13]
PAL-AfBPP Probe
Click To Hide/Show 8 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C278
 Probe Info  		62.68  LDD1948  [32]
FFF probe13
 Probe Info  		13.14  LDD0475  [33]
FFF probe2
 Probe Info  		5.13  LDD0463  [33]
FFF probe3
 Probe Info  		9.54  LDD0464  [33]
JN0003
 Probe Info  		12.13  LDD0469  [33]
STS-2
 Probe Info  		N.A.  LDD0138  [34]
DA-2
 Probe Info  		N.A.  LDD0070  [35]
STS-1
 Probe Info  		N.A.  LDD0068  [36]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C58(0.91); C91(0.42)  LDD2142  [37]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C58(1.02); C91(0.69)  LDD2112  [37]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C58(0.69)  LDD2095  [37]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C58(0.91)  LDD2130  [37]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C5(1.20); C91(1.02); C214(1.08)  LDD2117  [37]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C58(1.03); C91(1.08)  LDD2103  [37]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C58(0.57)  LDD2132  [37]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C58(0.71)  LDD2131  [37]
 LDCM0026  4SU-RNA+native RNA DM93 C214(3.11)  LDD0171  [10]
 LDCM0214  AC1 HCT 116 C214(0.82); C58(1.28)  LDD0531  [14]
 LDCM0215  AC10 HCT 116 C214(0.89); C58(0.88)  LDD0532  [14]
 LDCM0216  AC100 HCT 116 C214(0.90); C58(0.89)  LDD0533  [14]
 LDCM0217  AC101 HCT 116 C214(0.90); C58(0.78)  LDD0534  [14]
 LDCM0218  AC102 HCT 116 C214(0.92); C58(0.81)  LDD0535  [14]
 LDCM0219  AC103 HCT 116 C214(0.98); C58(0.71)  LDD0536  [14]
 LDCM0220  AC104 HCT 116 C214(0.78); C58(0.83)  LDD0537  [14]
 LDCM0221  AC105 HCT 116 C214(0.81); C58(0.71)  LDD0538  [14]
 LDCM0222  AC106 HCT 116 C214(0.85); C58(0.74)  LDD0539  [14]
 LDCM0223  AC107 HCT 116 C214(1.00); C58(0.70)  LDD0540  [14]
 LDCM0224  AC108 HCT 116 C214(0.82); C58(0.80)  LDD0541  [14]
 LDCM0225  AC109 HCT 116 C214(0.74); C58(1.06)  LDD0542  [14]
 LDCM0226  AC11 HCT 116 C214(0.90); C58(0.67)  LDD0543  [14]
 LDCM0227  AC110 HCT 116 C214(0.84); C58(0.78)  LDD0544  [14]
 LDCM0228  AC111 HCT 116 C214(0.79); C58(0.68)  LDD0545  [14]
 LDCM0229  AC112 HCT 116 C214(0.76); C58(0.69)  LDD0546  [14]
 LDCM0230  AC113 HCT 116 C214(0.97); C58(1.04)  LDD0547  [14]
 LDCM0231  AC114 HCT 116 C214(0.87); C58(0.93)  LDD0548  [14]
 LDCM0232  AC115 HCT 116 C214(0.82); C58(0.79)  LDD0549  [14]
 LDCM0233  AC116 HCT 116 C214(0.85); C58(0.78)  LDD0550  [14]
 LDCM0234  AC117 HCT 116 C214(0.90); C58(0.97)  LDD0551  [14]
 LDCM0235  AC118 HCT 116 C214(0.99); C58(0.95)  LDD0552  [14]
 LDCM0236  AC119 HCT 116 C214(0.97); C58(0.96)  LDD0553  [14]
 LDCM0237  AC12 HCT 116 C214(0.92); C58(0.99)  LDD0554  [14]
 LDCM0238  AC120 HCT 116 C214(0.93); C58(0.87)  LDD0555  [14]
 LDCM0239  AC121 HCT 116 C214(1.00); C58(1.01)  LDD0556  [14]
 LDCM0240  AC122 HCT 116 C214(1.14); C58(0.93)  LDD0557  [14]
 LDCM0241  AC123 HCT 116 C214(0.94); C58(0.91)  LDD0558  [14]
 LDCM0242  AC124 HCT 116 C214(0.76); C58(1.04)  LDD0559  [14]
 LDCM0243  AC125 HCT 116 C214(1.11); C58(1.01)  LDD0560  [14]
 LDCM0244  AC126 HCT 116 C214(1.10); C58(0.89)  LDD0561  [14]
 LDCM0245  AC127 HCT 116 C214(0.84); C58(0.90)  LDD0562  [14]
 LDCM0246  AC128 HCT 116 C214(1.14); C58(0.73)  LDD0563  [14]
 LDCM0247  AC129 HCT 116 C214(1.25); C58(1.22)  LDD0564  [14]
 LDCM0249  AC130 HCT 116 C214(1.29); C58(0.86)  LDD0566  [14]
 LDCM0250  AC131 HCT 116 C214(1.26); C58(1.06)  LDD0567  [14]
 LDCM0251  AC132 HCT 116 C214(1.50); C58(1.27)  LDD0568  [14]
 LDCM0252  AC133 HCT 116 C214(1.23); C58(1.02)  LDD0569  [14]
 LDCM0253  AC134 HCT 116 C214(1.46); C58(0.78)  LDD0570  [14]
 LDCM0254  AC135 HCT 116 C214(1.67); C58(0.94)  LDD0571  [14]
 LDCM0255  AC136 HCT 116 C214(1.19); C58(0.91)  LDD0572  [14]
 LDCM0256  AC137 HCT 116 C214(1.36); C58(1.08)  LDD0573  [14]
 LDCM0257  AC138 HCT 116 C214(1.07); C58(0.87)  LDD0574  [14]
 LDCM0258  AC139 HCT 116 C214(1.17); C58(0.87)  LDD0575  [14]
 LDCM0259  AC14 HCT 116 C214(0.87); C58(0.80)  LDD0576  [14]
 LDCM0260  AC140 HCT 116 C214(1.91); C58(0.78)  LDD0577  [14]
 LDCM0261  AC141 HCT 116 C214(1.50); C58(0.83)  LDD0578  [14]
 LDCM0262  AC142 HCT 116 C214(1.20); C58(1.11)  LDD0579  [14]
 LDCM0263  AC143 HCT 116 C58(0.85)  LDD0580  [14]
 LDCM0264  AC144 HCT 116 C58(0.69)  LDD0581  [14]
 LDCM0265  AC145 HCT 116 C58(0.87)  LDD0582  [14]
 LDCM0266  AC146 HCT 116 C58(0.81)  LDD0583  [14]
 LDCM0267  AC147 HCT 116 C58(0.75)  LDD0584  [14]
 LDCM0268  AC148 HCT 116 C58(0.33)  LDD0585  [14]
 LDCM0269  AC149 HCT 116 C58(0.59)  LDD0586  [14]
 LDCM0270  AC15 HCT 116 C214(0.87); C58(0.95)  LDD0587  [14]
 LDCM0271  AC150 HCT 116 C58(1.02)  LDD0588  [14]
 LDCM0272  AC151 HCT 116 C58(0.97)  LDD0589  [14]
 LDCM0273  AC152 HCT 116 C58(0.63)  LDD0590  [14]
 LDCM0274  AC153 HCT 116 C58(0.32)  LDD0591  [14]
 LDCM0621  AC154 HCT 116 C58(0.74)  LDD2158  [14]
 LDCM0622  AC155 HCT 116 C58(0.80)  LDD2159  [14]
 LDCM0623  AC156 HCT 116 C58(0.89)  LDD2160  [14]
 LDCM0624  AC157 HCT 116 C58(0.85)  LDD2161  [14]
 LDCM0276  AC17 HCT 116 C58(0.92); C214(1.17)  LDD0593  [14]
 LDCM0277  AC18 HCT 116 C58(0.79); C214(1.09)  LDD0594  [14]
 LDCM0278  AC19 HCT 116 C58(0.90); C214(1.14)  LDD0595  [14]
 LDCM0279  AC2 HCT 116 C214(0.84); C58(1.07)  LDD0596  [14]
 LDCM0280  AC20 HCT 116 C58(0.84); C214(1.09)  LDD0597  [14]
 LDCM0281  AC21 HCT 116 C58(0.88); C214(1.07)  LDD0598  [14]
 LDCM0282  AC22 HCT 116 C58(0.91); C214(1.19)  LDD0599  [14]
 LDCM0283  AC23 HCT 116 C58(0.89); C214(1.17)  LDD0600  [14]
 LDCM0284  AC24 HCT 116 C58(0.90); C214(1.24)  LDD0601  [14]
 LDCM0285  AC25 HCT 116 C214(0.90); C58(0.93)  LDD0602  [14]
 LDCM0286  AC26 HCT 116 C58(0.79); C214(0.98)  LDD0603  [14]
 LDCM0287  AC27 HCT 116 C58(0.85); C214(0.94)  LDD0604  [14]
 LDCM0288  AC28 HCT 116 C58(0.82); C214(0.91)  LDD0605  [14]
 LDCM0289  AC29 HCT 116 C58(0.82); C214(0.94)  LDD0606  [14]
 LDCM0290  AC3 HCT 116 C214(0.88); C58(1.12)  LDD0607  [14]
 LDCM0291  AC30 HCT 116 C58(0.74); C214(0.96)  LDD0608  [14]
 LDCM0292  AC31 HCT 116 C58(0.76); C214(0.96)  LDD0609  [14]
 LDCM0293  AC32 HCT 116 C58(0.62); C214(0.93)  LDD0610  [14]
 LDCM0294  AC33 HCT 116 C58(0.67); C214(0.87)  LDD0611  [14]
 LDCM0295  AC34 HCT 116 C58(0.60); C214(0.93)  LDD0612  [14]
 LDCM0296  AC35 HCT 116 C214(0.81); C58(1.45)  LDD0613  [14]
 LDCM0297  AC36 HCT 116 C214(0.71); C58(1.18)  LDD0614  [14]
 LDCM0298  AC37 HCT 116 C214(0.78); C58(1.17)  LDD0615  [14]
 LDCM0299  AC38 HCT 116 C214(0.86); C58(1.23)  LDD0616  [14]
 LDCM0300  AC39 HCT 116 C214(0.85); C58(1.08)  LDD0617  [14]
 LDCM0301  AC4 HCT 116 C214(0.85); C58(1.17)  LDD0618  [14]
 LDCM0302  AC40 HCT 116 C58(0.75); C214(0.77)  LDD0619  [14]
 LDCM0303  AC41 HCT 116 C214(0.74); C58(1.02)  LDD0620  [14]
 LDCM0304  AC42 HCT 116 C214(0.76); C58(1.01)  LDD0621  [14]
 LDCM0305  AC43 HCT 116 C214(0.85); C58(0.94)  LDD0622  [14]
 LDCM0306  AC44 HCT 116 C214(0.75); C58(0.95)  LDD0623  [14]
 LDCM0307  AC45 HCT 116 C58(0.72); C214(0.82)  LDD0624  [14]
 LDCM0308  AC46 HCT 116 C58(1.13); C214(1.20)  LDD0625  [14]
 LDCM0309  AC47 HCT 116 C214(0.96); C58(1.20)  LDD0626  [14]
 LDCM0310  AC48 HCT 116 C58(0.72); C214(1.13)  LDD0627  [14]
 LDCM0311  AC49 HCT 116 C58(0.37); C214(1.24)  LDD0628  [14]
 LDCM0312  AC5 HCT 116 C214(0.93); C58(1.12)  LDD0629  [14]
 LDCM0313  AC50 HCT 116 C58(0.42); C214(1.27)  LDD0630  [14]
 LDCM0314  AC51 HCT 116 C214(0.89); C58(1.22)  LDD0631  [14]
 LDCM0315  AC52 HCT 116 C214(0.94); C58(1.01)  LDD0632  [14]
 LDCM0316  AC53 HCT 116 C58(0.73); C214(1.02)  LDD0633  [14]
 LDCM0317  AC54 HCT 116 C58(0.97); C214(0.99)  LDD0634  [14]
 LDCM0318  AC55 HCT 116 C58(0.66); C214(1.22)  LDD0635  [14]
 LDCM0319  AC56 HCT 116 C58(0.34); C214(1.37)  LDD0636  [14]
 LDCM0320  AC57 HCT 116 C58(0.82); C214(1.13)  LDD0637  [14]
 LDCM0321  AC58 HCT 116 C58(0.72); C214(1.16)  LDD0638  [14]
 LDCM0322  AC59 HCT 116 C58(0.67); C214(1.28)  LDD0639  [14]
 LDCM0323  AC6 HCT 116 C58(0.82); C214(0.95)  LDD0640  [14]
 LDCM0324  AC60 HCT 116 C58(0.86); C214(1.12)  LDD0641  [14]
 LDCM0325  AC61 HCT 116 C58(0.87); C214(1.03)  LDD0642  [14]
 LDCM0326  AC62 HCT 116 C58(0.63); C214(1.21)  LDD0643  [14]
 LDCM0327  AC63 HCT 116 C58(0.91); C214(1.25)  LDD0644  [14]
 LDCM0328  AC64 HCT 116 C58(0.69); C214(1.18)  LDD0645  [14]
 LDCM0329  AC65 HCT 116 C58(0.75); C214(1.02)  LDD0646  [14]
 LDCM0330  AC66 HCT 116 C58(0.87); C214(0.98)  LDD0647  [14]
 LDCM0331  AC67 HCT 116 C58(0.40); C214(1.11)  LDD0648  [14]
 LDCM0332  AC68 HCT 116 C58(0.85); C214(1.03)  LDD0649  [14]
 LDCM0333  AC69 HCT 116 C58(0.75); C214(1.56)  LDD0650  [14]
 LDCM0334  AC7 HCT 116 C58(0.83); C214(0.98)  LDD0651  [14]
 LDCM0335  AC70 HCT 116 C58(0.50); C214(1.12)  LDD0652  [14]
 LDCM0336  AC71 HCT 116 C58(1.07); C214(1.08)  LDD0653  [14]
 LDCM0337  AC72 HCT 116 C58(0.81); C214(0.87)  LDD0654  [14]
 LDCM0338  AC73 HCT 116 C58(0.43); C214(1.49)  LDD0655  [14]
 LDCM0339  AC74 HCT 116 C58(0.64); C214(1.34)  LDD0656  [14]
 LDCM0340  AC75 HCT 116 C58(0.39); C214(1.48)  LDD0657  [14]
 LDCM0341  AC76 HCT 116 C58(0.81); C214(1.11)  LDD0658  [14]
 LDCM0342  AC77 HCT 116 C58(0.68); C214(1.28)  LDD0659  [14]
 LDCM0343  AC78 HCT 116 C214(1.10); C58(1.25)  LDD0660  [14]
 LDCM0344  AC79 HCT 116 C58(0.81); C214(1.35)  LDD0661  [14]
 LDCM0345  AC8 HCT 116 C58(0.85); C214(0.92)  LDD0662  [14]
 LDCM0346  AC80 HCT 116 C58(0.93); C214(1.00)  LDD0663  [14]
 LDCM0347  AC81 HCT 116 C58(0.87); C214(1.21)  LDD0664  [14]
 LDCM0348  AC82 HCT 116 C58(0.58); C214(1.27)  LDD0665  [14]
 LDCM0349  AC83 HCT 116 C58(0.54); C214(0.88)  LDD0666  [14]
 LDCM0350  AC84 HCT 116 C58(0.57); C214(0.87)  LDD0667  [14]
 LDCM0351  AC85 HCT 116 C214(0.89); C58(0.96)  LDD0668  [14]
 LDCM0352  AC86 HCT 116 C58(0.90); C214(0.98)  LDD0669  [14]
 LDCM0353  AC87 HCT 116 C58(0.86); C214(0.94)  LDD0670  [14]
 LDCM0354  AC88 HCT 116 C58(0.79); C214(0.86)  LDD0671  [14]
 LDCM0355  AC89 HCT 116 C58(0.69); C214(0.72)  LDD0672  [14]
 LDCM0357  AC90 HCT 116 C214(1.07); C58(1.38)  LDD0674  [14]
 LDCM0358  AC91 HCT 116 C58(0.62); C214(0.87)  LDD0675  [14]
 LDCM0359  AC92 HCT 116 C58(0.64); C214(0.76)  LDD0676  [14]
 LDCM0360  AC93 HCT 116 C214(0.83); C58(0.95)  LDD0677  [14]
 LDCM0361  AC94 HCT 116 C214(0.96); C58(1.21)  LDD0678  [14]
 LDCM0362  AC95 HCT 116 C214(0.87); C58(0.96)  LDD0679  [14]
 LDCM0363  AC96 HCT 116 C214(0.78); C58(0.89)  LDD0680  [14]
 LDCM0364  AC97 HCT 116 C58(0.57); C214(0.80)  LDD0681  [14]
 LDCM0365  AC98 HCT 116 C58(0.38); C214(1.12)  LDD0682  [14]
 LDCM0366  AC99 HCT 116 C58(0.75); C214(0.97)  LDD0683  [14]
 LDCM0545  Acetamide MDA-MB-231 C58(0.55); C5(1.16); C91(0.56)  LDD2138  [37]
 LDCM0520  AKOS000195272 MDA-MB-231 C58(0.76); C91(0.81)  LDD2113  [37]
 LDCM0248  AKOS034007472 HCT 116 C214(0.93); C58(0.93)  LDD0565  [14]
 LDCM0356  AKOS034007680 HCT 116 C58(0.81); C214(0.87)  LDD0673  [14]
 LDCM0275  AKOS034007705 HCT 116 C58(0.71); C214(0.91)  LDD0592  [14]
 LDCM0156  Aniline NCI-H1299 12.91  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C214(0.90)  LDD0078  [14]
 LDCM0498  BS-3668 MDA-MB-231 C58(0.84); C91(0.60)  LDD2091  [37]
 LDCM0630  CCW28-3 231MFP C214(1.39)  LDD2214  [38]
 LDCM0108  Chloroacetamide HeLa C214(0.00); C91(0.00); C58(0.00); H109(0.00)  LDD0222  [28]
 LDCM0632  CL-Sc Hep-G2 C58(0.99); C214(0.95); C58(0.87); C91(0.68)  LDD2227  [31]
 LDCM0367  CL1 HCT 116 C214(0.99); C58(1.18)  LDD0684  [14]
 LDCM0368  CL10 HCT 116 C58(0.33); C214(1.07)  LDD0685  [14]
 LDCM0369  CL100 HCT 116 C214(0.85); C58(1.22)  LDD0686  [14]
 LDCM0370  CL101 HCT 116 C58(0.84); C214(0.86)  LDD0687  [14]
 LDCM0371  CL102 HCT 116 C214(0.78); C58(1.01)  LDD0688  [14]
 LDCM0372  CL103 HCT 116 C214(0.85); C58(0.95)  LDD0689  [14]
 LDCM0373  CL104 HCT 116 C214(0.85); C58(1.00)  LDD0690  [14]
 LDCM0374  CL105 HCT 116 C58(0.85); C214(1.16)  LDD0691  [14]
 LDCM0375  CL106 HCT 116 C58(0.64); C214(1.24)  LDD0692  [14]
 LDCM0376  CL107 HCT 116 C58(0.75); C214(1.18)  LDD0693  [14]
 LDCM0377  CL108 HCT 116 C58(0.62); C214(1.29)  LDD0694  [14]
 LDCM0378  CL109 HCT 116 C58(0.88); C214(1.05)  LDD0695  [14]
 LDCM0379  CL11 HCT 116 C58(0.29); C214(1.14)  LDD0696  [14]
 LDCM0380  CL110 HCT 116 C58(0.70); C214(1.17)  LDD0697  [14]
 LDCM0381  CL111 HCT 116 C58(0.81); C214(1.07)  LDD0698  [14]
 LDCM0382  CL112 HCT 116 C214(0.93); C58(0.96)  LDD0699  [14]
 LDCM0383  CL113 HCT 116 C58(0.67); C214(0.95)  LDD0700  [14]
 LDCM0384  CL114 HCT 116 C58(0.78); C214(0.97)  LDD0701  [14]
 LDCM0385  CL115 HCT 116 C58(0.83); C214(0.87)  LDD0702  [14]
 LDCM0386  CL116 HCT 116 C58(0.85); C214(0.97)  LDD0703  [14]
 LDCM0387  CL117 HCT 116 C58(0.47); C214(1.01)  LDD0704  [14]
 LDCM0388  CL118 HCT 116 C214(0.87); C58(0.91)  LDD0705  [14]
 LDCM0389  CL119 HCT 116 C214(0.75); C58(0.84)  LDD0706  [14]
 LDCM0390  CL12 HCT 116 C58(0.31); C214(1.20)  LDD0707  [14]
 LDCM0391  CL120 HCT 116 C214(0.80); C58(1.06)  LDD0708  [14]
 LDCM0392  CL121 HCT 116 C58(0.59); C214(0.71)  LDD0709  [14]
 LDCM0393  CL122 HCT 116 C58(0.87); C214(0.96)  LDD0710  [14]
 LDCM0394  CL123 HCT 116 C58(0.66); C214(0.92)  LDD0711  [14]
 LDCM0395  CL124 HCT 116 C58(0.55); C214(0.87)  LDD0712  [14]
 LDCM0396  CL125 HCT 116 C58(1.09); C214(1.19)  LDD0713  [14]
 LDCM0397  CL126 HCT 116 C58(0.97); C214(1.11)  LDD0714  [14]
 LDCM0398  CL127 HCT 116 C58(1.08); C214(1.19)  LDD0715  [14]
 LDCM0399  CL128 HCT 116 C58(0.74); C214(1.17)  LDD0716  [14]
 LDCM0400  CL13 HCT 116 C58(0.51); C214(1.04)  LDD0717  [14]
 LDCM0401  CL14 HCT 116 C58(0.89); C214(0.97)  LDD0718  [14]
 LDCM0402  CL15 HCT 116 C58(0.45); C214(1.07)  LDD0719  [14]
 LDCM0403  CL16 HCT 116 C214(0.88); C58(1.07)  LDD0720  [14]
 LDCM0404  CL17 HCT 116 C58(0.73); C214(0.99)  LDD0721  [14]
 LDCM0405  CL18 HCT 116 C58(0.63); C214(0.89)  LDD0722  [14]
 LDCM0406  CL19 HCT 116 C58(0.72); C214(1.04)  LDD0723  [14]
 LDCM0407  CL2 HCT 116 C214(1.04); C58(1.16)  LDD0724  [14]
 LDCM0408  CL20 HCT 116 C58(0.57); C214(0.78)  LDD0725  [14]
 LDCM0409  CL21 HCT 116 C58(0.34); C214(0.82)  LDD0726  [14]
 LDCM0410  CL22 HCT 116 C58(0.13); C214(1.32)  LDD0727  [14]
 LDCM0411  CL23 HCT 116 C58(0.61); C214(0.85)  LDD0728  [14]
 LDCM0412  CL24 HCT 116 C58(0.36); C214(0.85)  LDD0729  [14]
 LDCM0413  CL25 HCT 116 C214(1.21); C58(0.44)  LDD0730  [14]
 LDCM0414  CL26 HCT 116 C214(0.74); C58(0.63)  LDD0731  [14]
 LDCM0415  CL27 HCT 116 C214(0.77); C58(0.79)  LDD0732  [14]
 LDCM0416  CL28 HCT 116 C214(0.91); C58(0.72)  LDD0733  [14]
 LDCM0417  CL29 HCT 116 C214(0.93); C58(0.54)  LDD0734  [14]
 LDCM0418  CL3 HCT 116 C214(0.99); C58(0.81)  LDD0735  [14]
 LDCM0419  CL30 HCT 116 C214(0.90); C58(0.72)  LDD0736  [14]
 LDCM0420  CL31 HCT 116 C214(0.92); C58(0.97)  LDD0737  [14]
 LDCM0421  CL32 HCT 116 C214(1.07); C58(0.78)  LDD0738  [14]
 LDCM0422  CL33 HCT 116 C214(0.91); C58(0.71)  LDD0739  [14]
 LDCM0423  CL34 HCT 116 C214(0.95); C58(0.37)  LDD0740  [14]
 LDCM0424  CL35 HCT 116 C214(1.06); C58(0.38)  LDD0741  [14]
 LDCM0425  CL36 HCT 116 C214(0.86); C58(0.59)  LDD0742  [14]
 LDCM0426  CL37 HCT 116 C214(0.93); C58(0.34)  LDD0743  [14]
 LDCM0428  CL39 HCT 116 C214(0.89); C58(0.45)  LDD0745  [14]
 LDCM0429  CL4 HCT 116 C214(0.90); C58(1.26)  LDD0746  [14]
 LDCM0430  CL40 HCT 116 C214(0.81); C58(0.55)  LDD0747  [14]
 LDCM0431  CL41 HCT 116 C214(0.96); C58(0.67)  LDD0748  [14]
 LDCM0432  CL42 HCT 116 C214(0.89); C58(0.14)  LDD0749  [14]
 LDCM0433  CL43 HCT 116 C214(0.88); C58(0.29)  LDD0750  [14]
 LDCM0434  CL44 HCT 116 C214(0.89); C58(0.51)  LDD0751  [14]
 LDCM0435  CL45 HCT 116 C214(0.70); C58(0.28)  LDD0752  [14]
 LDCM0436  CL46 HCT 116 C214(1.00); C58(1.16)  LDD0753  [14]
 LDCM0437  CL47 HCT 116 C214(0.92); C58(1.15)  LDD0754  [14]
 LDCM0438  CL48 HCT 116 C214(0.94); C58(1.17)  LDD0755  [14]
 LDCM0439  CL49 HCT 116 C214(0.90); C58(1.24)  LDD0756  [14]
 LDCM0440  CL5 HCT 116 C214(1.06); C58(1.13)  LDD0757  [14]
 LDCM0441  CL50 HCT 116 C214(0.96); C58(1.08)  LDD0758  [14]
 LDCM0442  CL51 HCT 116 C214(0.94); C58(1.25)  LDD0759  [14]
 LDCM0443  CL52 HCT 116 C214(0.88); C58(1.10)  LDD0760  [14]
 LDCM0444  CL53 HCT 116 C214(0.84); C58(1.01)  LDD0761  [14]
 LDCM0445  CL54 HCT 116 C214(0.78); C58(1.12)  LDD0762  [14]
 LDCM0446  CL55 HCT 116 C214(0.94); C58(1.38)  LDD0763  [14]
 LDCM0447  CL56 HCT 116 C214(0.96); C58(1.10)  LDD0764  [14]
 LDCM0448  CL57 HCT 116 C214(0.89); C58(1.29)  LDD0765  [14]
 LDCM0449  CL58 HCT 116 C214(0.93); C58(1.06)  LDD0766  [14]
 LDCM0450  CL59 HCT 116 C214(0.90); C58(1.16)  LDD0767  [14]
 LDCM0451  CL6 HCT 116 C214(1.09); C58(0.73)  LDD0768  [14]
 LDCM0452  CL60 HCT 116 C214(0.90); C58(1.11)  LDD0769  [14]
 LDCM0453  CL61 HCT 116 C214(1.10); C58(1.03)  LDD0770  [14]
 LDCM0454  CL62 HCT 116 C214(1.09); C58(1.02)  LDD0771  [14]
 LDCM0455  CL63 HCT 116 C214(0.99); C58(1.15)  LDD0772  [14]
 LDCM0456  CL64 HCT 116 C214(0.95); C58(1.11)  LDD0773  [14]
 LDCM0457  CL65 HCT 116 C214(1.09); C58(1.15)  LDD0774  [14]
 LDCM0458  CL66 HCT 116 C214(1.03); C58(1.20)  LDD0775  [14]
 LDCM0459  CL67 HCT 116 C214(1.14); C58(1.24)  LDD0776  [14]
 LDCM0460  CL68 HCT 116 C214(0.97); C58(0.96)  LDD0777  [14]
 LDCM0461  CL69 HCT 116 C214(0.96); C58(0.96)  LDD0778  [14]
 LDCM0462  CL7 HCT 116 C214(1.13); C58(0.38)  LDD0779  [14]
 LDCM0463  CL70 HCT 116 C214(1.00); C58(0.86)  LDD0780  [14]
 LDCM0464  CL71 HCT 116 C214(1.08); C58(1.06)  LDD0781  [14]
 LDCM0465  CL72 HCT 116 C214(1.04); C58(0.77)  LDD0782  [14]
 LDCM0466  CL73 HCT 116 C214(1.02); C58(1.01)  LDD0783  [14]
 LDCM0467  CL74 HCT 116 C214(0.89); C58(1.01)  LDD0784  [14]
 LDCM0469  CL76 HCT 116 C214(0.94); C58(0.81)  LDD0786  [14]
 LDCM0470  CL77 HCT 116 C214(0.94); C58(0.51)  LDD0787  [14]
 LDCM0471  CL78 HCT 116 C214(0.90); C58(0.94)  LDD0788  [14]
 LDCM0472  CL79 HCT 116 C214(0.97); C58(0.86)  LDD0789  [14]
 LDCM0473  CL8 HCT 116 C214(1.07); C58(0.27)  LDD0790  [14]
 LDCM0474  CL80 HCT 116 C214(1.01); C58(1.00)  LDD0791  [14]
 LDCM0475  CL81 HCT 116 C214(0.99); C58(0.96)  LDD0792  [14]
 LDCM0476  CL82 HCT 116 C214(1.11); C58(0.93)  LDD0793  [14]
 LDCM0477  CL83 HCT 116 C214(1.02); C58(1.16)  LDD0794  [14]
 LDCM0478  CL84 HCT 116 C214(1.14); C58(0.91)  LDD0795  [14]
 LDCM0479  CL85 HCT 116 C214(0.98); C58(0.73)  LDD0796  [14]
 LDCM0480  CL86 HCT 116 C214(1.02); C58(0.88)  LDD0797  [14]
 LDCM0481  CL87 HCT 116 C214(0.99); C58(1.02)  LDD0798  [14]
 LDCM0482  CL88 HCT 116 C214(0.96); C58(0.98)  LDD0799  [14]
 LDCM0483  CL89 HCT 116 C214(1.37); C58(0.90)  LDD0800  [14]
 LDCM0484  CL9 HCT 116 C214(1.06); C58(0.68)  LDD0801  [14]
 LDCM0485  CL90 HCT 116 C214(0.96); C58(0.60)  LDD0802  [14]
 LDCM0486  CL91 HCT 116 C214(0.92); C58(0.82)  LDD0803  [14]
 LDCM0487  CL92 HCT 116 C214(0.88); C58(1.02)  LDD0804  [14]
 LDCM0488  CL93 HCT 116 C214(0.85); C58(1.13)  LDD0805  [14]
 LDCM0489  CL94 HCT 116 C214(0.83); C58(1.30)  LDD0806  [14]
 LDCM0490  CL95 HCT 116 C214(0.86); C58(0.92)  LDD0807  [14]
 LDCM0491  CL96 HCT 116 C214(0.86); C58(0.84)  LDD0808  [14]
 LDCM0492  CL97 HCT 116 C214(0.87); C58(0.88)  LDD0809  [14]
 LDCM0493  CL98 HCT 116 C214(0.91); C58(1.07)  LDD0810  [14]
 LDCM0494  CL99 HCT 116 C214(0.86); C58(1.13)  LDD0811  [14]
 LDCM0634  CY-0357 Hep-G2 C214(0.64)  LDD2228  [31]
 LDCM0495  E2913 HEK-293T C58(1.06); C91(0.87); C214(1.00)  LDD1698  [39]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C214(2.88); C58(1.59); C5(1.48); C91(0.95)  LDD1702  [37]
 LDCM0175  Ethacrynic acid HeLa C214(0.94); C214(1.04)  LDD2210  [11]
 LDCM0625  F8 Ramos C214(0.96); C91(0.34); C58(0.93)  LDD2187  [40]
 LDCM0572  Fragment10 MDA-MB-231 C214(3.36)  LDD1389  [41]
 LDCM0573  Fragment11 MDA-MB-231 C214(6.10)  LDD1391  [41]
 LDCM0574  Fragment12 MDA-MB-231 C214(2.91)  LDD1393  [41]
 LDCM0575  Fragment13 Ramos C214(0.83)  LDD1396  [41]
 LDCM0576  Fragment14 MDA-MB-231 C214(1.43)  LDD1397  [41]
 LDCM0577  Fragment15 MDA-MB-231 C214(1.31)  LDD1399  [41]
 LDCM0579  Fragment20 MDA-MB-231 C214(17.42)  LDD1402  [41]
 LDCM0580  Fragment21 MDA-MB-231 C214(1.04)  LDD1404  [41]
 LDCM0581  Fragment22 MDA-MB-231 C214(1.20)  LDD1406  [41]
 LDCM0582  Fragment23 MDA-MB-231 C214(1.40)  LDD1408  [41]
 LDCM0583  Fragment24 Ramos C214(1.29)  LDD1410  [41]
 LDCM0584  Fragment25 MDA-MB-231 C214(0.92)  LDD1411  [41]
 LDCM0585  Fragment26 Ramos C214(0.80)  LDD1412  [41]
 LDCM0578  Fragment27 MDA-MB-231 C214(0.91)  LDD1401  [41]
 LDCM0586  Fragment28 MDA-MB-231 C214(0.97)  LDD1415  [41]
 LDCM0587  Fragment29 MDA-MB-231 C214(1.15)  LDD1417  [41]
 LDCM0588  Fragment30 MDA-MB-231 C214(0.95)  LDD1419  [41]
 LDCM0589  Fragment31 MDA-MB-231 C214(1.74)  LDD1421  [41]
 LDCM0590  Fragment32 MDA-MB-231 C214(3.82)  LDD1423  [41]
 LDCM0468  Fragment33 HCT 116 C214(0.91); C58(0.99)  LDD0785  [14]
 LDCM0592  Fragment34 MDA-MB-231 C214(0.92)  LDD1427  [41]
 LDCM0593  Fragment35 MDA-MB-231 C214(0.78)  LDD1429  [41]
 LDCM0594  Fragment36 MDA-MB-231 C214(2.27)  LDD1431  [41]
 LDCM0596  Fragment38 MDA-MB-231 C214(0.99)  LDD1433  [41]
 LDCM0597  Fragment39 MDA-MB-231 C214(2.76)  LDD1435  [41]
 LDCM0566  Fragment4 MDA-MB-231 C214(4.21)  LDD1378  [41]
 LDCM0598  Fragment40 MDA-MB-231 C214(0.80)  LDD1436  [41]
 LDCM0599  Fragment41 MDA-MB-231 C214(1.85)  LDD1438  [41]
 LDCM0600  Fragment42 Ramos C214(0.81)  LDD1440  [41]
 LDCM0601  Fragment43 MDA-MB-231 C214(3.22)  LDD1441  [41]
 LDCM0602  Fragment44 MDA-MB-231 C214(0.82)  LDD1443  [41]
 LDCM0603  Fragment45 MDA-MB-231 C214(5.44)  LDD1444  [41]
 LDCM0604  Fragment46 MDA-MB-231 C214(1.16)  LDD1445  [41]
 LDCM0605  Fragment47 MDA-MB-231 C214(1.41)  LDD1446  [41]
 LDCM0606  Fragment48 MDA-MB-231 C214(1.08)  LDD1447  [41]
 LDCM0607  Fragment49 MDA-MB-231 C214(5.78)  LDD1448  [41]
 LDCM0608  Fragment50 MDA-MB-231 C214(3.09)  LDD1449  [41]
 LDCM0427  Fragment51 HCT 116 C214(0.78); C58(0.17)  LDD0744  [14]
 LDCM0610  Fragment52 MDA-MB-231 C214(1.08)  LDD1452  [41]
 LDCM0611  Fragment53 MDA-MB-231 C214(0.94)  LDD1454  [41]
 LDCM0613  Fragment55 MDA-MB-231 C214(1.13)  LDD1457  [41]
 LDCM0614  Fragment56 MDA-MB-231 C214(1.01)  LDD1458  [41]
 LDCM0568  Fragment6 MDA-MB-231 C214(1.19)  LDD1382  [41]
 LDCM0569  Fragment7 MDA-MB-231 C214(3.69)  LDD1383  [41]
 LDCM0570  Fragment8 MDA-MB-231 C214(4.25)  LDD1385  [41]
 LDCM0571  Fragment9 MDA-MB-231 C214(1.73)  LDD1387  [41]
 LDCM0107  IAA HeLa C91(0.00); H109(0.00); C58(0.00); C214(0.00)  LDD0221  [28]
 LDCM0123  JWB131 DM93 Y168(0.91)  LDD0285  [12]
 LDCM0124  JWB142 DM93 Y168(0.71)  LDD0286  [12]
 LDCM0125  JWB146 DM93 Y168(1.03)  LDD0287  [12]
 LDCM0126  JWB150 DM93 Y168(1.98)  LDD0288  [12]
 LDCM0127  JWB152 DM93 Y168(1.45)  LDD0289  [12]
 LDCM0128  JWB198 DM93 Y168(0.69)  LDD0290  [12]
 LDCM0129  JWB202 DM93 Y168(0.49)  LDD0291  [12]
 LDCM0130  JWB211 DM93 Y168(0.92)  LDD0292  [12]
 LDCM0022  KB02 HCT 116 C214(5.35); C58(3.25)  LDD0080  [14]
 LDCM0023  KB03 HCT 116 C214(2.91); C58(2.63)  LDD0081  [14]
 LDCM0024  KB05 HCT 116 C214(2.12); C58(1.78)  LDD0082  [14]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C58(0.72); C91(1.11)  LDD2102  [37]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C58(0.65); C91(0.75)  LDD2121  [37]
 LDCM0109  NEM HeLa C91(0.00); H109(0.00)  LDD0223  [28]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C58(1.03); C5(2.39); C91(0.68)  LDD2089  [37]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C58(1.36); C91(1.13)  LDD2090  [37]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C58(0.46); C91(1.40)  LDD2092  [37]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C5(1.46)  LDD2093  [37]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C91(1.88)  LDD2094  [37]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C91(0.25)  LDD2096  [37]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C58(1.03); C91(0.86)  LDD2097  [37]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C91(1.07)  LDD2098  [37]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C5(0.75); C214(1.63)  LDD2099  [37]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C58(0.93)  LDD2100  [37]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C58(0.90); C91(1.06)  LDD2101  [37]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C58(0.98); C91(0.43)  LDD2104  [37]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C58(0.91); C91(1.99)  LDD2105  [37]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C58(0.89); C91(0.41)  LDD2106  [37]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C5(1.25)  LDD2107  [37]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C58(0.94); C91(0.58)  LDD2108  [37]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C58(0.85); C5(0.76); C91(0.58); C214(0.74)  LDD2109  [37]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C58(1.24); C91(0.59)  LDD2110  [37]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C58(1.01)  LDD2111  [37]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C58(0.73); C91(0.38); C214(0.66)  LDD2114  [37]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C58(0.85); C91(0.49)  LDD2115  [37]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C58(0.61)  LDD2116  [37]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C58(0.36); C91(0.56)  LDD2118  [37]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C58(0.70)  LDD2120  [37]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C58(0.56)  LDD2122  [37]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C58(0.99); C5(0.98); C91(0.87); C214(0.81)  LDD2123  [37]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C91(0.34)  LDD2124  [37]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C58(0.92); C5(0.61); C91(0.78); C214(1.12)  LDD2125  [37]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C58(0.56); C91(0.30)  LDD2126  [37]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C58(0.78); C91(0.78)  LDD2127  [37]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C58(0.94); C5(1.11)  LDD2129  [37]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C58(0.72); C91(0.68)  LDD2133  [37]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C91(0.47)  LDD2134  [37]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C5(1.78)  LDD2135  [37]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C58(1.04); C5(1.36); C214(1.08)  LDD2136  [37]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C5(0.97)  LDD2137  [37]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C5(1.92)  LDD1700  [37]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C5(0.99)  LDD2140  [37]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C58(0.79); C91(0.81)  LDD2141  [37]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C58(0.42)  LDD2143  [37]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C5(3.09); C91(1.07)  LDD2144  [37]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C91(0.24)  LDD2145  [37]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C5(1.19)  LDD2146  [37]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C58(0.66); C5(0.41)  LDD2148  [37]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C58(0.43)  LDD2149  [37]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C58(0.68); C5(0.66); C91(0.53)  LDD2150  [37]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C91(0.27)  LDD2151  [37]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C58(1.22); C91(1.99)  LDD2153  [37]
 LDCM0627  NUDT7-COV-1 HEK-293T C214(4.49); C214(0.90)  LDD2206  [42]
 LDCM0628  OTUB2-COV-1 HEK-293T C214(0.88); C214(0.68)  LDD2207  [42]
 LDCM0131  RA190 MM1.R C58(1.52); C91(1.27); C214(1.10)  LDD0304  [43]
 LDCM0021  THZ1 HeLa S3 C214(0.84)  LDD0460  [9]

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
tRNA methyltransferase 10 homolog C (TRMT10C) TRM10 family Q7L0Y3
Elongation factor 2 (EEF2) Classic translation factor GTPase family P13639
Transporter and channel
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Amyloid-beta precursor protein (APP) APP family P05067
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Heat shock protein 75 kDa, mitochondrial (TRAP1) Heat shock protein 90 family Q12931

The Drug(s) Related To This Target

Approved
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Nadh Small molecular drug DB00157
Omega-3-carboxylic Acids . DB09568
Investigative
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
1-azepan-1-yl-2-phenyl-2-(4-thioxo-14-dihydro-pyrazolo[34-d]Pyrimidin-5-yl)Ethanone Adduct . DB02820

References

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Mass spectrometry data entry: PXD037665
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.
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Mass spectrometry data entry: PXD042888
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Mass spectrometry data entry: PXD044625
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Mass spectrometry data entry: PXD042377
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Mass spectrometry data entry: PXD028853
18 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
19 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
20 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
21 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 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
23 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
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Mass spectrometry data entry: PXD039931
25 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
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 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.
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29 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.
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31 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
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.
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37 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
38 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.
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Mass spectrometry data entry: PXD044402
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Mass spectrometry data entry: PXD027578
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