Details of the Target

General Information of Target

Target ID LDTP05898
Target Name Sequestosome-1 (SQSTM1)
Gene Name SQSTM1
Gene ID 8878
Synonyms
ORCA; OSIL; Sequestosome-1; EBI3-associated protein of 60 kDa; EBIAP; p60; Phosphotyrosine-independent ligand for the Lck SH2 domain of 62 kDa; Ubiquitin-binding protein p62
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MASLTVKAYLLGKEDAAREIRRFSFCCSPEPEAEAEAAAGPGPCERLLSRVAALFPALRP
GGFQAHYRDEDGDLVAFSSDEELTMAMSYVKDDIFRIYIKEKKECRRDHRPPCAQEAPRN
MVHPNVICDGCNGPVVGTRYKCSVCPDYDLCSVCEGKGLHRGHTKLAFPSPFGHLSEGFS
HSRWLRKVKHGHFGWPGWEMGPPGNWSPRPPRAGEARPGPTAESASGPSEDPSVNFLKNV
GESVAAALSPLGIEVDIDVEHGGKRSRLTPVSPESSSTEEKSSSQPSSCCSDPSKPGGNV
EGATQSLAEQMRKIALESEGRPEEQMESDNCSGGDDDWTHLSSKEVDPSTGELQSLQMPE
SEGPSSLDPSQEGPTGLKEAALYPHLPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTK
NYDIGAALDTIQYSKHPPPL
Target Type
Literature-reported
Target Bioclass
Other
Subcellular location
Cytoplasm, cytosol
Function
Molecular adapter required for selective macroautophagy (aggrephagy) by acting as a a bridge between polyubiquitinated proteins and autophagosomes. Promotes the recruitment of ubiquitinated cargo proteins to autophagosomes via multiple domains that bridge proteins and organelles in different steps. SQSTM1 first mediates the assembly and removal of ubiquitinated proteins by undergoing liquid-liquid phase separation upon binding to ubiquitinated proteins via its UBA domain, leading to the formation of insoluble cytoplasmic inclusions, known as p62 bodies. SQSTM1 then interacts with ATG8 family proteins on autophagosomes via its LIR motif, leading to p62 body recruitment to autophagosomes, followed by autophagic clearance of ubiquitinated proteins. SQSTM1 is itself degraded along with its ubiquitinated cargos. Also required to recruit ubiquitinated proteins to PML bodies in the nucleus. Also involved in autophagy of peroxisomes (pexophagy) in response to reactive oxygen species (ROS) by acting as a bridge between ubiquitinated PEX5 receptor and autophagosomes. Acts as an activator of the NFE2L2/NRF2 pathway via interaction with KEAP1: interaction inactivates the BCR(KEAP1) complex by sequestering the complex in inclusion bodies, promoting nuclear accumulation of NFE2L2/NRF2 and subsequent expression of cytoprotective genes. Promotes relocalization of 'Lys-63'-linked ubiquitinated STING1 to autophagosomes. Involved in endosome organization by retaining vesicles in the perinuclear cloud: following ubiquitination by RNF26, attracts specific vesicle-associated adapters, forming a molecular bridge that restrains cognate vesicles in the perinuclear region and organizes the endosomal pathway for efficient cargo transport. Sequesters tensin TNS2 into cytoplasmic puncta, promoting TNS2 ubiquitination and proteasomal degradation. May regulate the activation of NFKB1 by TNF-alpha, nerve growth factor (NGF) and interleukin-1 . May play a role in titin/TTN downstream signaling in muscle cells. Adapter that mediates the interaction between TRAF6 and CYLD.
TTD ID
T17367
Uniprot ID
Q13501
DrugMap ID
TTOT2RY
Ensemble ID
ENST00000360718.5
HGNC ID
HGNC:11280
ChEMBL ID
CHEMBL4295816

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
22RV1 SNV: p.P196S DBIA    Probe Info 
AN3CA SNV: p.T269A DBIA    Probe Info 
KPL1 SNV: p.E101D .
MCC26 SNV: p.S361F DBIA    Probe Info 
MCF7 SNV: p.E101D .
MEWO SNV: p.P171L; p.P220L .
MFE319 SNV: p.L356P DBIA    Probe Info 
MOLT4 SNV: p.Y67Ter .
YSCCC SNV: p.F193L DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 34 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
AZ-5
 Probe Info  		2.10  LDD0394  [2]
AZ-9
 Probe Info  		7.01  LDD0393  [2]
CY4
 Probe Info  		100.00  LDD0244  [3]
N1
 Probe Info  		100.00  LDD0242  [3]
W1
 Probe Info  		20.42  LDD0235  [4]
YN-1
 Probe Info  		100.00  LDD0444  [5]
YN-4
 Probe Info  		100.00  LDD0445  [5]
STPyne
 Probe Info  		K13(6.44); K238(7.17); K281(10.00); K295(4.58)  LDD0277  [6]
OPA-S-S-alkyne
 Probe Info  		K13(7.96)  LDD3494  [7]
P11
 Probe Info  		20.00  LDD0201  [8]
BTD
 Probe Info  		C44(1.26); C113(1.00)  LDD1700  [9]
AHL-Pu-1
 Probe Info  		C331(2.29)  LDD0169  [10]
Alkyne-RA190
 Probe Info  		2.07  LDD0299  [11]
DBIA
 Probe Info  		C44(1.24); C142(1.08); C145(1.08); C289(1.07)  LDD0078  [12]
5E-2FA
 Probe Info  		N.A.  LDD2235  [13]
IA-alkyne
 Probe Info  		N.A.  LDD0032  [14]
Lodoacetamide azide
 Probe Info  		N.A.  LDD0037  [15]
ATP probe
 Probe Info  		N.A.  LDD0035  [16]
JW-RF-010
 Probe Info  		C26(0.00); C27(0.00)  LDD0026  [17]
NAIA_4
 Probe Info  		C290(0.00); C289(0.00); C26(0.00); C27(0.00)  LDD2226  [18]
TFBX
 Probe Info  		C290(0.00); C26(0.00); C113(0.00); C289(0.00)  LDD0027  [17]
WYneC
 Probe Info  		N.A.  LDD0014  [19]
WYneN
 Probe Info  		C290(0.00); C113(0.00); C289(0.00)  LDD0021  [19]
WYneO
 Probe Info  		C113(0.00); C331(0.00)  LDD0022  [19]
Compound 10
 Probe Info  		N.A.  LDD2216  [20]
IPM
 Probe Info  		C113(0.00); C289(0.00)  LDD0005  [19]
VSF
 Probe Info  		C113(0.00); C290(0.00); C289(0.00)  LDD0007  [19]
Phosphinate-6
 Probe Info  		C26(0.00); C289(0.00); C113(0.00); C142(0.00)  LDD0018  [21]
Acrolein
 Probe Info  		C26(0.00); C289(0.00); C113(0.00); C331(0.00)  LDD0217  [22]
Crotonaldehyde
 Probe Info  		H109(0.00); C113(0.00)  LDD0219  [22]
Methacrolein
 Probe Info  		C289(0.00); C113(0.00); C331(0.00); C26(0.00)  LDD0218  [22]
AOyne
 Probe Info  		15.00  LDD0443  [23]
NAIA_5
 Probe Info  		C113(0.00); C331(0.00)  LDD2223  [18]
PAL-AfBPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C170
 Probe Info  		48.84  LDD1850  [24]
C186
 Probe Info  		12.73  LDD1864  [24]
C197
 Probe Info  		5.50  LDD1873  [24]
C310
 Probe Info  		54.95  LDD1977  [24]
STS-1
 Probe Info  		N.A.  LDD0136  [25]

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 C113(0.75); C44(0.32)  LDD2142  [9]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C113(0.93); C44(0.42)  LDD2112  [9]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C113(1.28)  LDD2095  [9]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C113(0.95); C44(1.07)  LDD2117  [9]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C113(1.47); C44(0.77)  LDD2152  [9]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C113(0.76)  LDD2103  [9]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C113(0.72)  LDD2132  [9]
 LDCM0025  4SU-RNA DM93 C290(2.65)  LDD0170  [10]
 LDCM0026  4SU-RNA+native RNA HEK-293T C331(2.29)  LDD0169  [10]
 LDCM0214  AC1 HCT 116 C113(0.98); C128(0.90); C131(0.89); C142(0.94)  LDD0531  [12]
 LDCM0215  AC10 HCT 116 C113(1.42); C128(1.29); C131(1.32); C142(1.27)  LDD0532  [12]
 LDCM0216  AC100 HCT 116 C113(1.30); C128(0.94); C131(1.01); C142(1.06)  LDD0533  [12]
 LDCM0217  AC101 HCT 116 C113(1.22); C128(1.16); C131(1.27); C142(1.14)  LDD0534  [12]
 LDCM0218  AC102 HCT 116 C113(1.07); C128(1.10); C131(1.08); C142(1.08)  LDD0535  [12]
 LDCM0219  AC103 HCT 116 C113(1.74); C128(1.26); C131(1.31); C142(1.45)  LDD0536  [12]
 LDCM0220  AC104 HCT 116 C113(1.27); C128(1.09); C131(1.11); C142(1.11)  LDD0537  [12]
 LDCM0221  AC105 HCT 116 C113(1.41); C128(1.36); C131(1.34); C142(1.37)  LDD0538  [12]
 LDCM0222  AC106 HCT 116 C113(1.44); C128(1.31); C131(1.29); C142(1.59)  LDD0539  [12]
 LDCM0223  AC107 HCT 116 C113(1.43); C128(0.97); C131(1.24); C142(1.04)  LDD0540  [12]
 LDCM0224  AC108 HCT 116 C113(1.16); C128(1.28); C131(1.16); C142(0.96)  LDD0541  [12]
 LDCM0225  AC109 HCT 116 C113(0.97); C128(1.28); C131(1.01); C142(0.78)  LDD0542  [12]
 LDCM0226  AC11 HCT 116 C113(1.37); C128(1.38); C131(1.37); C142(1.38)  LDD0543  [12]
 LDCM0227  AC110 HCT 116 C113(1.05); C128(1.48); C131(1.06); C142(0.99)  LDD0544  [12]
 LDCM0228  AC111 HCT 116 C113(1.19); C128(1.46); C131(1.17); C142(0.95)  LDD0545  [12]
 LDCM0229  AC112 HCT 116 C113(1.28); C128(1.18); C131(1.14); C142(1.08)  LDD0546  [12]
 LDCM0230  AC113 HCT 116 C113(1.05); C128(1.00); C131(1.02); C142(0.96)  LDD0547  [12]
 LDCM0231  AC114 HCT 116 C113(1.34); C128(1.25); C131(1.22); C142(1.05)  LDD0548  [12]
 LDCM0232  AC115 HCT 116 C113(1.52); C128(1.47); C131(1.43); C142(1.13)  LDD0549  [12]
 LDCM0233  AC116 HCT 116 C113(1.49); C128(1.43); C131(1.31); C142(1.18)  LDD0550  [12]
 LDCM0234  AC117 HCT 116 C113(1.24); C128(1.19); C131(1.25); C142(1.09)  LDD0551  [12]
 LDCM0235  AC118 HCT 116 C113(1.21); C128(1.15); C131(1.10); C142(1.05)  LDD0552  [12]
 LDCM0236  AC119 HCT 116 C113(1.29); C128(1.14); C131(1.11); C142(1.10)  LDD0553  [12]
 LDCM0237  AC12 HCT 116 C113(1.13); C128(1.08); C131(1.13); C142(1.08)  LDD0554  [12]
 LDCM0238  AC120 HCT 116 C113(1.22); C128(0.97); C131(0.94); C142(1.06)  LDD0555  [12]
 LDCM0239  AC121 HCT 116 C113(1.19); C128(1.06); C131(1.13); C142(0.94)  LDD0556  [12]
 LDCM0240  AC122 HCT 116 C113(1.22); C128(1.22); C131(1.18); C142(1.14)  LDD0557  [12]
 LDCM0241  AC123 HCT 116 C113(1.09); C128(0.98); C131(1.09); C142(0.92)  LDD0558  [12]
 LDCM0242  AC124 HCT 116 C113(1.13); C128(1.10); C131(1.08); C142(0.98)  LDD0559  [12]
 LDCM0243  AC125 HCT 116 C113(1.15); C128(1.12); C131(1.12); C142(1.11)  LDD0560  [12]
 LDCM0244  AC126 HCT 116 C113(1.45); C128(1.15); C131(1.18); C142(1.13)  LDD0561  [12]
 LDCM0245  AC127 HCT 116 C113(1.48); C128(1.12); C131(1.21); C142(1.10)  LDD0562  [12]
 LDCM0246  AC128 HCT 116 C113(1.27); C128(1.31); C131(1.28); C142(0.87)  LDD0563  [12]
 LDCM0247  AC129 HCT 116 C113(0.85); C128(1.08); C131(1.09); C142(0.58)  LDD0564  [12]
 LDCM0249  AC130 HCT 116 C113(1.23); C128(1.28); C131(1.31); C142(0.82)  LDD0566  [12]
 LDCM0250  AC131 HCT 116 C113(0.87); C128(0.83); C131(0.85); C142(0.65)  LDD0567  [12]
 LDCM0251  AC132 HCT 116 C113(0.98); C128(0.90); C131(0.91); C142(0.67)  LDD0568  [12]
 LDCM0252  AC133 HCT 116 C113(1.17); C128(1.17); C131(1.12); C142(0.73)  LDD0569  [12]
 LDCM0253  AC134 HCT 116 C113(1.22); C128(1.35); C131(1.36); C142(0.82)  LDD0570  [12]
 LDCM0254  AC135 HCT 116 C113(1.15); C128(1.33); C131(1.34); C142(0.72)  LDD0571  [12]
 LDCM0255  AC136 HCT 116 C113(1.20); C128(1.01); C131(1.02); C142(0.73)  LDD0572  [12]
 LDCM0256  AC137 HCT 116 C113(0.90); C128(0.86); C131(0.86); C142(0.73)  LDD0573  [12]
 LDCM0257  AC138 HCT 116 C113(1.02); C128(1.23); C131(1.24); C142(0.84)  LDD0574  [12]
 LDCM0258  AC139 HCT 116 C113(1.07); C128(1.10); C131(1.13); C142(0.84)  LDD0575  [12]
 LDCM0259  AC14 HCT 116 C113(1.26); C128(1.52); C131(1.51); C142(1.31)  LDD0576  [12]
 LDCM0260  AC140 HCT 116 C113(1.13); C128(1.10); C131(1.18); C142(0.78)  LDD0577  [12]
 LDCM0261  AC141 HCT 116 C113(1.23); C128(1.13); C131(1.17); C142(0.82)  LDD0578  [12]
 LDCM0262  AC142 HCT 116 C113(0.89); C128(0.83); C131(0.85); C142(0.62)  LDD0579  [12]
 LDCM0263  AC143 HCT 116 C44(0.82); C154(0.93); C290(0.94); C27(0.95)  LDD0580  [12]
 LDCM0264  AC144 HCT 116 C44(0.96); C26(1.05); C27(1.07); C154(1.23)  LDD0581  [12]
 LDCM0265  AC145 HCT 116 C128(0.99); C154(1.05); C289(1.08); C290(1.08)  LDD0582  [12]
 LDCM0266  AC146 HCT 116 C44(0.91); C26(0.98); C27(1.04); C154(1.15)  LDD0583  [12]
 LDCM0267  AC147 HCT 116 C44(1.10); C26(1.18); C128(1.22); C151(1.23)  LDD0584  [12]
 LDCM0268  AC148 HCT 116 C44(0.80); C151(1.45); C26(1.62); C154(1.63)  LDD0585  [12]
 LDCM0269  AC149 HCT 116 C44(0.93); C26(1.29); C27(1.37); C290(1.44)  LDD0586  [12]
 LDCM0270  AC15 HCT 116 C44(0.89); C26(1.00); C151(1.16); C145(1.17)  LDD0587  [12]
 LDCM0271  AC150 HCT 116 C44(0.97); C154(1.03); C26(1.07); C289(1.10)  LDD0588  [12]
 LDCM0272  AC151 HCT 116 C44(0.92); C26(0.95); C154(1.03); C27(1.04)  LDD0589  [12]
 LDCM0273  AC152 HCT 116 C44(0.97); C26(1.04); C27(1.16); C151(1.25)  LDD0590  [12]
 LDCM0274  AC153 HCT 116 C44(0.96); C26(1.25); C27(1.47); C151(1.79)  LDD0591  [12]
 LDCM0621  AC154 HCT 116 C113(1.34); C128(1.42); C131(1.51); C142(1.43)  LDD2158  [12]
 LDCM0622  AC155 HCT 116 C113(1.45); C128(1.20); C131(1.28); C142(1.53)  LDD2159  [12]
 LDCM0623  AC156 HCT 116 C113(1.28); C128(1.02); C131(1.14); C142(1.22)  LDD2160  [12]
 LDCM0624  AC157 HCT 116 C113(1.05); C128(1.09); C131(1.13); C142(1.23)  LDD2161  [12]
 LDCM0276  AC17 HCT 116 C154(0.75); C151(0.78); C290(0.78); C142(0.81)  LDD0593  [12]
 LDCM0277  AC18 HCT 116 C27(0.78); C26(0.78); C44(0.85); C154(0.98)  LDD0594  [12]
 LDCM0278  AC19 HCT 116 C290(0.84); C154(0.84); C151(0.85); C27(0.88)  LDD0595  [12]
 LDCM0279  AC2 HCT 116 C44(0.87); C289(0.90); C131(0.91); C142(0.93)  LDD0596  [12]
 LDCM0280  AC20 HCT 116 C151(0.80); C290(0.80); C289(0.81); C27(0.81)  LDD0597  [12]
 LDCM0281  AC21 HCT 116 C154(0.87); C27(0.88); C26(0.97); C113(0.97)  LDD0598  [12]
 LDCM0282  AC22 HCT 116 C154(0.82); C151(0.88); C290(0.91); C289(0.92)  LDD0599  [12]
 LDCM0283  AC23 HCT 116 C154(0.64); C151(0.68); C142(0.73); C145(0.75)  LDD0600  [12]
 LDCM0284  AC24 HCT 116 C154(0.68); C290(0.79); C151(0.80); C289(0.85)  LDD0601  [12]
 LDCM0285  AC25 HCT 116 C27(0.66); C26(0.79); C44(0.83); C151(1.04)  LDD0602  [12]
 LDCM0286  AC26 HCT 116 C44(0.68); C26(0.71); C27(0.74); C151(1.16)  LDD0603  [12]
 LDCM0287  AC27 HCT 116 C26(0.77); C44(0.79); C27(0.81); C151(1.21)  LDD0604  [12]
 LDCM0288  AC28 HCT 116 C44(0.71); C27(0.80); C26(0.84); C131(1.20)  LDD0605  [12]
 LDCM0289  AC29 HCT 116 C44(0.63); C26(0.83); C27(0.97); C154(1.24)  LDD0606  [12]
 LDCM0290  AC3 HCT 116 C289(0.80); C290(0.88); C151(0.88); C154(0.89)  LDD0607  [12]
 LDCM0291  AC30 HCT 116 C44(0.59); C26(0.78); C27(1.04); C151(1.18)  LDD0608  [12]
 LDCM0292  AC31 HCT 116 C44(0.72); C27(0.72); C26(0.75); C151(1.24)  LDD0609  [12]
 LDCM0293  AC32 HCT 116 C44(0.58); C26(0.79); C27(0.90); C142(1.63)  LDD0610  [12]
 LDCM0294  AC33 HCT 116 C27(0.65); C44(0.66); C26(0.80); C151(1.33)  LDD0611  [12]
 LDCM0295  AC34 HCT 116 C44(0.62); C26(0.72); C27(0.74); C128(1.51)  LDD0612  [12]
 LDCM0296  AC35 HCT 116 C113(0.78); C131(0.78); C27(0.80); C151(0.84)  LDD0613  [12]
 LDCM0297  AC36 HCT 116 C290(0.88); C151(0.89); C131(0.89); C113(0.92)  LDD0614  [12]
 LDCM0298  AC37 HCT 116 C151(0.81); C26(0.93); C131(0.93); C145(0.97)  LDD0615  [12]
 LDCM0299  AC38 HCT 116 C151(0.91); C131(1.00); C27(1.01); C145(1.07)  LDD0616  [12]
 LDCM0300  AC39 HCT 116 C27(0.86); C131(0.97); C290(1.03); C44(1.03)  LDD0617  [12]
 LDCM0301  AC4 HCT 116 C44(0.83); C154(0.85); C289(0.86); C142(0.91)  LDD0618  [12]
 LDCM0302  AC40 HCT 116 C151(0.98); C290(0.99); C26(1.04); C289(1.05)  LDD0619  [12]
 LDCM0303  AC41 HCT 116 C27(0.91); C151(0.92); C44(0.98); C113(1.02)  LDD0620  [12]
 LDCM0304  AC42 HCT 116 C27(0.96); C44(0.99); C26(1.01); C151(1.04)  LDD0621  [12]
 LDCM0305  AC43 HCT 116 C44(0.93); C27(0.94); C26(1.00); C131(1.15)  LDD0622  [12]
 LDCM0306  AC44 HCT 116 C26(0.93); C289(0.94); C151(0.97); C44(1.03)  LDD0623  [12]
 LDCM0307  AC45 HCT 116 C27(0.89); C26(0.92); C44(1.05); C151(1.09)  LDD0624  [12]
 LDCM0308  AC46 HCT 116 C289(0.97); C44(1.00); C290(1.00); C27(1.03)  LDD0625  [12]
 LDCM0309  AC47 HCT 116 C27(0.85); C289(0.94); C290(0.94); C128(1.00)  LDD0626  [12]
 LDCM0310  AC48 HCT 116 C27(0.74); C289(0.79); C290(0.79); C44(0.88)  LDD0627  [12]
 LDCM0311  AC49 HCT 116 C44(0.71); C27(0.79); C26(0.98); C128(1.23)  LDD0628  [12]
 LDCM0312  AC5 HCT 116 C289(0.71); C154(0.76); C290(0.77); C142(0.80)  LDD0629  [12]
 LDCM0313  AC50 HCT 116 C44(0.76); C27(0.83); C26(1.04); C142(1.33)  LDD0630  [12]
 LDCM0314  AC51 HCT 116 C290(0.86); C289(0.89); C128(0.92); C131(0.97)  LDD0631  [12]
 LDCM0315  AC52 HCT 116 C151(1.03); C142(1.04); C44(1.07); C145(1.07)  LDD0632  [12]
 LDCM0316  AC53 HCT 116 C27(0.92); C26(0.97); C44(0.98); C151(1.11)  LDD0633  [12]
 LDCM0317  AC54 HCT 116 C27(0.76); C44(0.85); C26(1.00); C128(1.22)  LDD0634  [12]
 LDCM0318  AC55 HCT 116 C44(0.81); C27(0.90); C26(0.96); C151(1.32)  LDD0635  [12]
 LDCM0319  AC56 HCT 116 C44(0.71); C27(0.82); C26(0.94); C113(1.53)  LDD0636  [12]
 LDCM0320  AC57 HCT 116 C27(0.83); C26(0.88); C44(0.96); C290(1.23)  LDD0637  [12]
 LDCM0321  AC58 HCT 116 C44(0.71); C26(0.74); C27(0.79); C128(1.34)  LDD0638  [12]
 LDCM0322  AC59 HCT 116 C27(0.64); C44(0.80); C26(0.83); C142(1.22)  LDD0639  [12]
 LDCM0323  AC6 HCT 116 C44(0.75); C26(0.81); C145(1.20); C142(1.23)  LDD0640  [12]
 LDCM0324  AC60 HCT 116 C27(0.61); C26(0.85); C44(0.85); C151(1.18)  LDD0641  [12]
 LDCM0325  AC61 HCT 116 C26(0.73); C27(0.74); C44(0.78); C145(1.19)  LDD0642  [12]
 LDCM0326  AC62 HCT 116 C27(0.58); C26(0.70); C44(0.71); C154(1.28)  LDD0643  [12]
 LDCM0327  AC63 HCT 116 C27(0.85); C26(0.91); C44(0.93); C154(1.13)  LDD0644  [12]
 LDCM0328  AC64 HCT 116 C27(0.65); C26(0.79); C44(0.85); C151(1.28)  LDD0645  [12]
 LDCM0329  AC65 HCT 116 C290(0.58); C289(0.63); C27(0.76); C44(0.77)  LDD0646  [12]
 LDCM0330  AC66 HCT 116 C290(0.54); C289(0.57); C44(0.81); C27(0.84)  LDD0647  [12]
 LDCM0331  AC67 HCT 116 C44(0.58); C26(0.60); C27(0.63); C290(0.76)  LDD0648  [12]
 LDCM0332  AC68 HCT 116 C26(1.02); C27(1.15); C44(1.17); C154(1.17)  LDD0649  [12]
 LDCM0333  AC69 HCT 116 C44(1.07); C26(1.08); C27(1.15); C154(1.15)  LDD0650  [12]
 LDCM0334  AC7 HCT 116 C44(0.89); C289(0.92); C290(0.94); C151(1.00)  LDD0651  [12]
 LDCM0335  AC70 HCT 116 C27(0.88); C26(0.90); C44(0.94); C151(1.27)  LDD0652  [12]
 LDCM0336  AC71 HCT 116 C154(0.98); C128(1.03); C151(1.06); C290(1.08)  LDD0653  [12]
 LDCM0337  AC72 HCT 116 C27(1.03); C26(1.05); C44(1.10); C154(1.16)  LDD0654  [12]
 LDCM0338  AC73 HCT 116 C44(0.85); C27(0.94); C26(0.96); C154(1.37)  LDD0655  [12]
 LDCM0339  AC74 HCT 116 C44(1.06); C26(1.25); C151(1.27); C154(1.28)  LDD0656  [12]
 LDCM0340  AC75 HCT 116 C44(0.90); C26(0.94); C27(0.99); C154(1.54)  LDD0657  [12]
 LDCM0341  AC76 HCT 116 C26(1.13); C44(1.14); C27(1.16); C154(1.21)  LDD0658  [12]
 LDCM0342  AC77 HCT 116 C44(0.94); C26(1.11); C27(1.17); C154(1.23)  LDD0659  [12]
 LDCM0343  AC78 HCT 116 C26(0.93); C27(1.08); C44(1.11); C154(1.13)  LDD0660  [12]
 LDCM0344  AC79 HCT 116 C26(0.95); C44(0.99); C27(1.00); C154(1.06)  LDD0661  [12]
 LDCM0345  AC8 HCT 116 C44(0.87); C26(0.98); C128(1.05); C27(1.11)  LDD0662  [12]
 LDCM0346  AC80 HCT 116 C44(1.13); C154(1.16); C26(1.16); C151(1.18)  LDD0663  [12]
 LDCM0347  AC81 HCT 116 C26(0.93); C27(1.02); C154(1.04); C44(1.04)  LDD0664  [12]
 LDCM0348  AC82 HCT 116 C44(1.08); C26(1.16); C27(1.22); C142(1.53)  LDD0665  [12]
 LDCM0349  AC83 HCT 116 C27(0.80); C44(0.83); C26(1.22); C128(1.51)  LDD0666  [12]
 LDCM0350  AC84 HCT 116 C27(0.87); C44(0.87); C26(1.11); C128(1.32)  LDD0667  [12]
 LDCM0351  AC85 HCT 116 C44(0.79); C27(0.90); C26(1.03); C128(1.14)  LDD0668  [12]
 LDCM0352  AC86 HCT 116 C44(0.90); C151(1.13); C26(1.13); C128(1.15)  LDD0669  [12]
 LDCM0353  AC87 HCT 116 C26(0.83); C44(1.05); C113(1.08); C151(1.09)  LDD0670  [12]
 LDCM0354  AC88 HCT 116 C44(0.80); C26(0.82); C131(1.19); C27(1.20)  LDD0671  [12]
 LDCM0355  AC89 HCT 116 C26(0.73); C44(0.74); C27(1.04); C113(1.41)  LDD0672  [12]
 LDCM0357  AC90 HCT 116 C26(0.62); C44(0.82); C128(0.92); C131(0.93)  LDD0674  [12]
 LDCM0358  AC91 HCT 116 C44(0.95); C27(1.03); C26(1.22); C154(1.55)  LDD0675  [12]
 LDCM0359  AC92 HCT 116 C26(0.67); C44(0.81); C27(0.88); C151(1.59)  LDD0676  [12]
 LDCM0360  AC93 HCT 116 C26(0.60); C44(0.89); C27(1.02); C131(1.11)  LDD0677  [12]
 LDCM0361  AC94 HCT 116 C26(0.95); C131(1.07); C128(1.08); C27(1.13)  LDD0678  [12]
 LDCM0362  AC95 HCT 116 C44(0.92); C26(1.00); C27(1.02); C113(1.21)  LDD0679  [12]
 LDCM0363  AC96 HCT 116 C26(0.96); C27(1.20); C44(1.22); C113(1.41)  LDD0680  [12]
 LDCM0364  AC97 HCT 116 C44(0.75); C26(1.09); C27(1.11); C128(1.35)  LDD0681  [12]
 LDCM0365  AC98 HCT 116 C44(0.39); C26(1.04); C27(1.50); C154(1.54)  LDD0682  [12]
 LDCM0366  AC99 HCT 116 C44(0.70); C26(0.82); C128(0.91); C131(0.94)  LDD0683  [12]
 LDCM0545  Acetamide MDA-MB-231 C113(0.31)  LDD2138  [9]
 LDCM0520  AKOS000195272 MDA-MB-231 C113(0.85); C44(0.80)  LDD2113  [9]
 LDCM0248  AKOS034007472 HCT 116 C113(1.16); C128(1.21); C131(1.25); C142(1.04)  LDD0565  [12]
 LDCM0356  AKOS034007680 HCT 116 C44(0.90); C26(1.01); C154(1.10); C27(1.11)  LDD0673  [12]
 LDCM0275  AKOS034007705 HCT 116 C44(0.69); C26(0.98); C27(1.05); C145(1.39)  LDD0592  [12]
 LDCM0156  Aniline NCI-H1299 11.75  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C44(1.24); C142(1.08); C145(1.08); C289(1.07)  LDD0078  [12]
 LDCM0498  BS-3668 MDA-MB-231 C113(0.37)  LDD2091  [9]
 LDCM0088  C45 HEK-293T 20.00  LDD0201  [8]
 LDCM0108  Chloroacetamide HeLa C113(0.00); C26(0.00); C27(0.00)  LDD0222  [22]
 LDCM0632  CL-Sc Hep-G2 C113(1.46); C113(0.46)  LDD2227  [18]
 LDCM0367  CL1 HCT 116 C289(0.86); C154(0.93); C145(0.95); C151(0.98)  LDD0684  [12]
 LDCM0368  CL10 HCT 116 C44(1.06); C289(1.07); C113(1.20); C27(1.20)  LDD0685  [12]
 LDCM0369  CL100 HCT 116 C289(0.83); C27(0.87); C290(0.88); C44(0.90)  LDD0686  [12]
 LDCM0370  CL101 HCT 116 C44(0.96); C26(1.00); C145(1.15); C142(1.19)  LDD0687  [12]
 LDCM0371  CL102 HCT 116 C145(1.03); C142(1.05); C151(1.07); C154(1.09)  LDD0688  [12]
 LDCM0372  CL103 HCT 116 C44(1.04); C151(1.04); C145(1.05); C290(1.06)  LDD0689  [12]
 LDCM0373  CL104 HCT 116 C290(0.94); C289(0.95); C154(0.98); C142(1.03)  LDD0690  [12]
 LDCM0374  CL105 HCT 116 C27(0.79); C151(0.88); C26(0.89); C154(0.92)  LDD0691  [12]
 LDCM0375  CL106 HCT 116 C26(0.76); C27(0.77); C44(0.98); C154(1.08)  LDD0692  [12]
 LDCM0376  CL107 HCT 116 C26(0.81); C27(0.85); C44(0.89); C154(0.95)  LDD0693  [12]
 LDCM0377  CL108 HCT 116 C27(0.79); C26(0.79); C44(0.88); C154(1.05)  LDD0694  [12]
 LDCM0378  CL109 HCT 116 C154(0.98); C151(1.01); C145(1.05); C26(1.06)  LDD0695  [12]
 LDCM0379  CL11 HCT 116 C27(1.13); C289(1.22); C44(1.26); C26(1.29)  LDD0696  [12]
 LDCM0380  CL110 HCT 116 C154(0.98); C44(1.04); C151(1.04); C142(1.08)  LDD0697  [12]
 LDCM0381  CL111 HCT 116 C154(0.89); C145(0.96); C142(0.99); C151(1.00)  LDD0698  [12]
 LDCM0382  CL112 HCT 116 C27(0.79); C26(0.82); C44(0.86); C131(1.05)  LDD0699  [12]
 LDCM0383  CL113 HCT 116 C44(0.65); C26(0.78); C27(0.83); C113(1.32)  LDD0700  [12]
 LDCM0384  CL114 HCT 116 C44(0.84); C26(0.96); C27(1.03); C151(1.15)  LDD0701  [12]
 LDCM0385  CL115 HCT 116 C44(0.80); C27(0.80); C26(0.87); C151(1.32)  LDD0702  [12]
 LDCM0386  CL116 HCT 116 C27(0.65); C44(0.70); C26(0.81); C151(1.26)  LDD0703  [12]
 LDCM0387  CL117 HCT 116 C27(0.82); C44(0.87); C26(0.99); C142(1.10)  LDD0704  [12]
 LDCM0388  CL118 HCT 116 C27(0.85); C26(1.01); C142(1.02); C145(1.06)  LDD0705  [12]
 LDCM0389  CL119 HCT 116 C27(0.88); C131(0.98); C44(1.02); C128(1.02)  LDD0706  [12]
 LDCM0390  CL12 HCT 116 C27(0.97); C44(1.06); C26(1.15); C290(1.19)  LDD0707  [12]
 LDCM0391  CL120 HCT 116 C151(0.93); C27(0.97); C131(1.00); C128(1.07)  LDD0708  [12]
 LDCM0392  CL121 HCT 116 C113(1.01); C131(1.43); C154(1.49); C128(1.97)  LDD0709  [12]
 LDCM0393  CL122 HCT 116 C290(1.00); C289(1.03); C44(1.04); C151(1.09)  LDD0710  [12]
 LDCM0394  CL123 HCT 116 C27(1.07); C154(1.08); C151(1.14); C145(1.15)  LDD0711  [12]
 LDCM0395  CL124 HCT 116 C44(0.87); C27(0.92); C26(1.04); C145(1.26)  LDD0712  [12]
 LDCM0396  CL125 HCT 116 C27(0.84); C154(0.85); C142(0.86); C290(0.87)  LDD0713  [12]
 LDCM0397  CL126 HCT 116 C154(0.78); C142(0.78); C27(0.80); C145(0.80)  LDD0714  [12]
 LDCM0398  CL127 HCT 116 C27(0.70); C154(0.85); C44(0.87); C142(0.89)  LDD0715  [12]
 LDCM0399  CL128 HCT 116 C27(0.74); C44(0.86); C26(0.90); C154(1.29)  LDD0716  [12]
 LDCM0400  CL13 HCT 116 C290(0.99); C26(1.07); C289(1.12); C27(1.13)  LDD0717  [12]
 LDCM0401  CL14 HCT 116 C289(0.99); C145(1.03); C26(1.09); C113(1.10)  LDD0718  [12]
 LDCM0402  CL15 HCT 116 C26(1.01); C289(1.06); C145(1.07); C44(1.09)  LDD0719  [12]
 LDCM0403  CL16 HCT 116 C289(0.91); C113(0.95); C26(0.95); C151(0.96)  LDD0720  [12]
 LDCM0404  CL17 HCT 116 C289(0.78); C151(0.80); C145(0.88); C142(0.94)  LDD0721  [12]
 LDCM0405  CL18 HCT 116 C44(0.88); C289(0.92); C26(0.98); C27(1.00)  LDD0722  [12]
 LDCM0406  CL19 HCT 116 C289(0.94); C44(0.99); C290(1.06); C26(1.10)  LDD0723  [12]
 LDCM0407  CL2 HCT 116 C289(0.84); C145(0.90); C151(0.96); C154(0.98)  LDD0724  [12]
 LDCM0408  CL20 HCT 116 C44(0.83); C26(0.98); C27(1.01); C151(1.15)  LDD0725  [12]
 LDCM0409  CL21 HCT 116 C26(0.97); C289(1.10); C290(1.14); C27(1.18)  LDD0726  [12]
 LDCM0410  CL22 HCT 116 C290(0.76); C44(0.79); C26(1.04); C27(1.12)  LDD0727  [12]
 LDCM0411  CL23 HCT 116 C26(0.85); C289(0.85); C290(0.86); C44(0.94)  LDD0728  [12]
 LDCM0412  CL24 HCT 116 C113(1.48); C128(1.62); C131(1.56); C142(1.43)  LDD0729  [12]
 LDCM0413  CL25 HCT 116 C113(1.43); C128(1.38); C131(1.22); C142(1.17)  LDD0730  [12]
 LDCM0414  CL26 HCT 116 C113(1.21); C128(1.49); C131(1.38); C142(1.21)  LDD0731  [12]
 LDCM0415  CL27 HCT 116 C113(1.32); C128(1.36); C131(1.27); C142(1.19)  LDD0732  [12]
 LDCM0416  CL28 HCT 116 C113(1.37); C128(1.75); C131(1.74); C142(1.36)  LDD0733  [12]
 LDCM0417  CL29 HCT 116 C113(1.23); C128(1.56); C131(1.50); C142(1.18)  LDD0734  [12]
 LDCM0418  CL3 HCT 116 C113(1.13); C128(1.14); C131(1.14); C142(1.05)  LDD0735  [12]
 LDCM0419  CL30 HCT 116 C113(1.09); C128(1.30); C131(1.22); C142(1.09)  LDD0736  [12]
 LDCM0420  CL31 HCT 116 C113(1.22); C128(1.29); C131(1.26); C142(1.11)  LDD0737  [12]
 LDCM0421  CL32 HCT 116 C113(1.29); C128(1.37); C131(1.34); C142(1.19)  LDD0738  [12]
 LDCM0422  CL33 HCT 116 C113(1.76); C128(1.76); C131(1.88); C142(1.31)  LDD0739  [12]
 LDCM0423  CL34 HCT 116 C113(2.40); C128(2.09); C131(2.00); C142(1.78)  LDD0740  [12]
 LDCM0424  CL35 HCT 116 C113(1.38); C128(2.01); C131(1.91); C142(1.40)  LDD0741  [12]
 LDCM0425  CL36 HCT 116 C113(1.52); C128(1.82); C131(1.77); C142(1.32)  LDD0742  [12]
 LDCM0426  CL37 HCT 116 C113(1.58); C128(2.02); C131(1.99); C142(1.59)  LDD0743  [12]
 LDCM0428  CL39 HCT 116 C113(2.09); C128(2.05); C131(2.00); C142(1.58)  LDD0745  [12]
 LDCM0429  CL4 HCT 116 C113(1.34); C128(1.18); C131(1.23); C142(0.98)  LDD0746  [12]
 LDCM0430  CL40 HCT 116 C113(1.68); C128(1.85); C131(1.74); C142(1.30)  LDD0747  [12]
 LDCM0431  CL41 HCT 116 C113(1.49); C128(1.72); C131(1.84); C142(1.36)  LDD0748  [12]
 LDCM0432  CL42 HCT 116 C113(2.37); C128(2.14); C131(2.19); C142(1.63)  LDD0749  [12]
 LDCM0433  CL43 HCT 116 C113(1.74); C128(1.94); C131(2.03); C142(1.59)  LDD0750  [12]
 LDCM0434  CL44 HCT 116 C113(1.79); C128(2.03); C131(1.88); C142(1.72)  LDD0751  [12]
 LDCM0435  CL45 HCT 116 C113(1.93); C128(1.79); C131(1.74); C142(1.65)  LDD0752  [12]
 LDCM0436  CL46 HCT 116 C113(1.27); C128(0.89); C131(0.87); C142(0.89)  LDD0753  [12]
 LDCM0437  CL47 HCT 116 C113(1.06); C128(0.87); C131(0.85); C142(0.93)  LDD0754  [12]
 LDCM0438  CL48 HCT 116 C113(1.10); C128(0.80); C131(0.81); C142(0.93)  LDD0755  [12]
 LDCM0439  CL49 HCT 116 C113(1.03); C128(0.88); C131(0.89); C142(1.00)  LDD0756  [12]
 LDCM0440  CL5 HCT 116 C113(0.97); C128(1.21); C131(1.20); C142(1.27)  LDD0757  [12]
 LDCM0441  CL50 HCT 116 C113(1.06); C128(1.02); C131(1.04); C142(0.89)  LDD0758  [12]
 LDCM0442  CL51 HCT 116 C113(1.13); C128(1.02); C131(1.03); C142(1.02)  LDD0759  [12]
 LDCM0443  CL52 HCT 116 C113(1.24); C128(1.08); C131(1.07); C142(0.99)  LDD0760  [12]
 LDCM0444  CL53 HCT 116 C113(1.06); C128(1.00); C131(1.02); C142(0.97)  LDD0761  [12]
 LDCM0445  CL54 HCT 116 C113(1.04); C128(0.88); C131(0.87); C142(0.90)  LDD0762  [12]
 LDCM0446  CL55 HCT 116 C113(0.98); C128(1.00); C131(0.99); C142(0.98)  LDD0763  [12]
 LDCM0447  CL56 HCT 116 C113(0.99); C128(1.01); C131(1.00); C142(1.00)  LDD0764  [12]
 LDCM0448  CL57 HCT 116 C113(1.03); C128(1.10); C131(1.10); C142(1.00)  LDD0765  [12]
 LDCM0449  CL58 HCT 116 C113(1.32); C128(0.91); C131(0.92); C142(1.01)  LDD0766  [12]
 LDCM0450  CL59 HCT 116 C113(0.99); C128(1.00); C131(0.98); C142(0.99)  LDD0767  [12]
 LDCM0451  CL6 HCT 116 C113(1.13); C128(1.07); C131(1.10); C142(1.12)  LDD0768  [12]
 LDCM0452  CL60 HCT 116 C113(1.07); C128(0.94); C131(0.94); C142(0.91)  LDD0769  [12]
 LDCM0453  CL61 HCT 116 C113(1.13); C128(1.04); C131(1.14); C142(0.98)  LDD0770  [12]
 LDCM0454  CL62 HCT 116 C113(1.23); C128(1.04); C131(1.08); C142(1.01)  LDD0771  [12]
 LDCM0455  CL63 HCT 116 C113(1.37); C128(1.14); C131(1.21); C142(1.11)  LDD0772  [12]
 LDCM0456  CL64 HCT 116 C113(1.40); C128(1.35); C131(1.36); C142(1.10)  LDD0773  [12]
 LDCM0457  CL65 HCT 116 C113(1.27); C128(1.00); C131(1.07); C142(1.06)  LDD0774  [12]
 LDCM0458  CL66 HCT 116 C113(1.66); C128(1.33); C131(1.43); C142(1.28)  LDD0775  [12]
 LDCM0459  CL67 HCT 116 C113(1.33); C128(1.36); C131(1.35); C142(1.25)  LDD0776  [12]
 LDCM0460  CL68 HCT 116 C113(1.34); C128(1.44); C131(1.48); C142(1.21)  LDD0777  [12]
 LDCM0461  CL69 HCT 116 C113(1.25); C128(1.23); C131(1.23); C142(1.05)  LDD0778  [12]
 LDCM0462  CL7 HCT 116 C113(1.08); C128(1.21); C131(1.34); C142(1.43)  LDD0779  [12]
 LDCM0463  CL70 HCT 116 C113(1.33); C128(1.30); C131(1.36); C142(1.18)  LDD0780  [12]
 LDCM0464  CL71 HCT 116 C113(1.24); C128(1.16); C131(1.18); C142(1.03)  LDD0781  [12]
 LDCM0465  CL72 HCT 116 C113(1.15); C128(1.13); C131(1.13); C142(1.08)  LDD0782  [12]
 LDCM0466  CL73 HCT 116 C113(1.22); C128(1.16); C131(1.17); C142(1.03)  LDD0783  [12]
 LDCM0467  CL74 HCT 116 C113(1.47); C128(1.27); C131(1.37); C142(1.28)  LDD0784  [12]
 LDCM0469  CL76 HCT 116 C113(1.13); C128(1.29); C131(1.27); C142(1.11)  LDD0786  [12]
 LDCM0470  CL77 HCT 116 C113(1.11); C128(1.13); C131(1.22); C142(1.03)  LDD0787  [12]
 LDCM0471  CL78 HCT 116 C113(1.24); C128(1.18); C131(1.20); C142(1.21)  LDD0788  [12]
 LDCM0472  CL79 HCT 116 C113(1.54); C128(1.54); C131(1.51); C142(1.33)  LDD0789  [12]
 LDCM0473  CL8 HCT 116 C113(2.17); C128(1.48); C131(1.62); C142(1.31)  LDD0790  [12]
 LDCM0474  CL80 HCT 116 C113(1.11); C128(1.26); C131(1.27); C142(1.05)  LDD0791  [12]
 LDCM0475  CL81 HCT 116 C113(1.28); C128(1.19); C131(1.23); C142(1.18)  LDD0792  [12]
 LDCM0476  CL82 HCT 116 C113(1.84); C128(1.43); C131(1.56); C142(1.50)  LDD0793  [12]
 LDCM0477  CL83 HCT 116 C113(1.60); C128(1.30); C131(1.38); C142(1.19)  LDD0794  [12]
 LDCM0478  CL84 HCT 116 C113(2.01); C128(1.38); C131(1.47); C142(1.33)  LDD0795  [12]
 LDCM0479  CL85 HCT 116 C113(1.22); C128(1.12); C131(1.14); C142(1.03)  LDD0796  [12]
 LDCM0480  CL86 HCT 116 C113(0.95); C128(0.82); C131(0.88); C142(0.82)  LDD0797  [12]
 LDCM0481  CL87 HCT 116 C113(1.32); C128(1.29); C131(1.30); C142(1.06)  LDD0798  [12]
 LDCM0482  CL88 HCT 116 C113(1.50); C128(1.34); C131(1.43); C142(1.42)  LDD0799  [12]
 LDCM0483  CL89 HCT 116 C113(1.86); C128(1.55); C131(1.63); C142(1.55)  LDD0800  [12]
 LDCM0484  CL9 HCT 116 C113(1.35); C128(1.41); C131(1.42); C142(1.29)  LDD0801  [12]
 LDCM0485  CL90 HCT 116 C113(1.32); C128(0.82); C131(1.04); C142(0.79)  LDD0802  [12]
 LDCM0486  CL91 HCT 116 C113(1.28); C128(1.21); C131(1.13); C142(1.16)  LDD0803  [12]
 LDCM0487  CL92 HCT 116 C113(1.11); C128(1.27); C131(1.20); C142(1.07)  LDD0804  [12]
 LDCM0488  CL93 HCT 116 C113(1.18); C128(1.20); C131(1.20); C142(1.13)  LDD0805  [12]
 LDCM0489  CL94 HCT 116 C113(1.57); C128(1.44); C131(1.44); C142(1.15)  LDD0806  [12]
 LDCM0490  CL95 HCT 116 C113(1.71); C128(1.14); C131(1.19); C142(1.23)  LDD0807  [12]
 LDCM0491  CL96 HCT 116 C113(1.27); C128(1.22); C131(1.11); C142(1.15)  LDD0808  [12]
 LDCM0492  CL97 HCT 116 C113(1.05); C128(1.09); C131(0.98); C142(0.97)  LDD0809  [12]
 LDCM0493  CL98 HCT 116 C113(1.15); C128(0.99); C131(1.02); C142(0.92)  LDD0810  [12]
 LDCM0494  CL99 HCT 116 C113(1.23); C128(0.94); C131(0.88); C142(0.94)  LDD0811  [12]
 LDCM0634  CY-0357 Hep-G2 C331(0.52)  LDD2228  [18]
 LDCM0495  E2913 HEK-293T C113(1.07); C131(0.97); C26(0.82); C289(0.90)  LDD1698  [26]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C44(5.64); C26(1.45); C289(1.39); C290(1.37)  LDD1702  [9]
 LDCM0625  F8 Ramos C113(1.94)  LDD2187  [27]
 LDCM0572  Fragment10 Ramos C113(1.53); 1.85  LDD2189  [27]
 LDCM0573  Fragment11 Ramos C113(2.39); 0.65  LDD2190  [27]
 LDCM0574  Fragment12 Ramos C113(0.94); 0.93  LDD2191  [27]
 LDCM0575  Fragment13 Ramos C113(0.57); 1.85  LDD2192  [27]
 LDCM0576  Fragment14 Ramos C113(0.72); 1.00  LDD2193  [27]
 LDCM0579  Fragment20 Ramos C113(2.87); 0.74  LDD2194  [27]
 LDCM0580  Fragment21 Ramos C113(0.65); 1.31  LDD2195  [27]
 LDCM0582  Fragment23 Ramos C113(1.02); 1.00  LDD2196  [27]
 LDCM0578  Fragment27 Ramos C113(1.12)  LDD2197  [27]
 LDCM0586  Fragment28 Ramos C113(0.78); 1.03  LDD2198  [27]
 LDCM0588  Fragment30 Ramos C113(0.94); 1.46  LDD2199  [27]
 LDCM0589  Fragment31 Ramos C113(0.92); 1.50  LDD2200  [27]
 LDCM0590  Fragment32 Ramos C113(2.39)  LDD2201  [27]
 LDCM0468  Fragment33 HCT 116 C113(1.26); C128(1.30); C131(1.34); C142(1.05)  LDD0785  [12]
 LDCM0596  Fragment38 Ramos C113(1.26); 0.55  LDD2203  [27]
 LDCM0566  Fragment4 Ramos C113(1.00)  LDD2184  [27]
 LDCM0427  Fragment51 HCT 116 C113(2.26); C128(2.15); C131(2.16); C142(1.77)  LDD0744  [12]
 LDCM0610  Fragment52 Ramos C113(0.91)  LDD2204  [27]
 LDCM0614  Fragment56 Ramos C113(1.05); 1.62  LDD2205  [27]
 LDCM0569  Fragment7 Ramos C113(1.00); 0.81  LDD2186  [27]
 LDCM0571  Fragment9 Ramos C113(1.10)  LDD2188  [27]
 LDCM0107  IAA HeLa N.A.  LDD0221  [22]
 LDCM0022  KB02 HCT 116 C26(2.35); C27(2.35); C142(5.06); C145(5.06)  LDD0080  [12]
 LDCM0023  KB03 HCT 116 C26(1.68); C27(1.68); C142(4.90); C145(4.90)  LDD0081  [12]
 LDCM0024  KB05 HCT 116 C26(3.09); C27(3.09); C142(1.93); C145(1.93)  LDD0082  [12]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C113(0.84)  LDD2102  [9]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C113(0.69)  LDD2121  [9]
 LDCM0109  NEM HeLa H66(0.00); H109(0.00)  LDD0223  [22]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C113(0.48)  LDD2089  [9]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C44(0.96)  LDD2090  [9]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C113(0.88)  LDD2092  [9]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C113(0.80)  LDD2093  [9]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C113(0.93); C105(1.22)  LDD2094  [9]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C113(0.68)  LDD2096  [9]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C113(0.99)  LDD2097  [9]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C113(1.01)  LDD2098  [9]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C113(0.80)  LDD2099  [9]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C113(0.94); C44(0.35); C289(0.67)  LDD2100  [9]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C113(0.83); C290(0.52)  LDD2101  [9]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C113(0.80); C44(0.31)  LDD2104  [9]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C113(1.22); C44(0.86)  LDD2105  [9]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C44(0.24)  LDD2106  [9]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C113(1.01); C44(0.81)  LDD2107  [9]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C113(0.91); C44(0.37)  LDD2108  [9]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C113(0.64); C44(0.66)  LDD2109  [9]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C44(0.30)  LDD2110  [9]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C113(0.88)  LDD2111  [9]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C113(0.85); C44(0.49)  LDD2114  [9]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C113(0.62)  LDD2115  [9]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C113(1.01)  LDD2116  [9]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C113(1.00)  LDD2118  [9]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C113(2.28); C44(1.79)  LDD2119  [9]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C113(0.79)  LDD2120  [9]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C113(0.78)  LDD2122  [9]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C113(0.76); C44(0.75); C290(0.57)  LDD2123  [9]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C113(0.95)  LDD2124  [9]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C113(0.60); C290(0.69)  LDD2125  [9]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C113(1.07)  LDD2126  [9]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C113(0.98); C44(0.82); C290(0.98); C289(0.77)  LDD2127  [9]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C113(0.91)  LDD2128  [9]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C113(0.76); C44(0.93)  LDD2129  [9]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C113(0.71); C44(0.66)  LDD2133  [9]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C113(1.20)  LDD2134  [9]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C113(0.88); C44(1.12)  LDD2135  [9]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C113(1.09); C44(0.83); C290(1.21)  LDD2136  [9]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C113(0.92); C44(1.13); C289(0.82)  LDD2137  [9]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C44(1.26); C113(1.00)  LDD1700  [9]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C113(0.71); C44(1.22)  LDD2140  [9]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C113(0.74); C44(0.65)  LDD2141  [9]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C113(1.06)  LDD2143  [9]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C113(3.19); C44(1.97)  LDD2144  [9]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C113(2.08); C44(0.29)  LDD2145  [9]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C113(0.69)  LDD2146  [9]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C113(3.39)  LDD2147  [9]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C113(0.55)  LDD2148  [9]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C113(1.07)  LDD2149  [9]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C113(0.36)  LDD2150  [9]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C113(1.59)  LDD2151  [9]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C44(1.91)  LDD2153  [9]
 LDCM0627  NUDT7-COV-1 HEK-293T C26(0.76)  LDD2206  [28]
 LDCM0628  OTUB2-COV-1 HEK-293T C131(1.80); C113(0.76); C113(0.56); C27(0.46)  LDD2207  [28]
 LDCM0131  RA190 MM1.R 2.07  LDD0299  [11]
 LDCM0021  THZ1 HCT 116 C128(1.11); C131(1.11); C154(0.96); C142(1.08)  LDD2173  [12]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 10 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
5'-AMP-activated protein kinase subunit gamma-2 (PRKAG2) 5'-AMP-activated protein kinase gamma subunit family Q9UGJ0
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) Peptidase C14B family Q9UDY8
Protein kinase C iota type (PRKCI) AGC Ser/Thr protein kinase family P41743
Dual specificity mitogen-activated protein kinase kinase 5 (MAP2K5) STE Ser/Thr protein kinase family Q13163
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) TKL Ser/Thr protein kinase family Q5S007
High affinity nerve growth factor receptor (NTRK1) Tyr protein kinase family P04629
Tyrosine-protein phosphatase non-receptor type 13 (PTPN13) Protein-tyrosine phosphatase family Q12923
Sestrin-2 (SESN2) Sestrin family P58004
TNF receptor-associated factor 6 (TRAF6) TNF receptor-associated factor family Q9Y4K3
E3 ubiquitin-protein ligase CHIP (STUB1) . Q9UNE7
Transporter and channel
Click To Hide/Show 7 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Amyloid-beta precursor protein (APP) APP family P05067
Gamma-aminobutyric acid receptor-associated protein (GABARAP) ATG8 family O95166
Hsp90 co-chaperone Cdc37 (CDC37) CDC37 family Q16543
Huntingtin (HTT) Huntingtin family P42858
Vitamin D3 receptor (VDR) Nuclear hormone receptor family P11473
Alpha-synuclein (SNCA) Synuclein family P37840
Optineurin (OPTN) . Q96CV9
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Mothers against decapentaplegic homolog 3 (SMAD3) Dwarfin/SMAD family P84022
GPCR
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Cannabinoid receptor 2 (CNR2) G-protein coupled receptor 1 family P34972
Other
Click To Hide/Show 19 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Gamma-aminobutyric acid receptor-associated protein-like 1 (GABARAPL1) ATG8 family Q9H0R8
Gamma-aminobutyric acid receptor-associated protein-like 2 (GABARAPL2) ATG8 family P60520
Microtubule-associated proteins 1A/1B light chain 3A (MAP1LC3A) ATG8 family Q9H492
Microtubule-associated proteins 1A/1B light chain 3B (MAP1LC3B) ATG8 family Q9GZQ8
Microtubule-associated proteins 1A/1B light chain 3C (MAP1LC3C) ATG8 family Q9BXW4
Ataxin-1 (ATXN1) ATXN1 family P54253
FH1/FH2 domain-containing protein 3 (FHOD3) Formin homology family Q2V2M9
Heat shock 70 kDa protein 1A (HSPA1A) Heat shock protein 70 family P0DMV8
Kelch-like ECH-associated protein 1 (KEAP1) KEAP1 family Q14145
UV excision repair protein RAD23 homolog A (RAD23A) RAD23 family P54725
Tubulin beta chain (TUBB) Tubulin family P07437
Polyubiquitin-C (UBC) Ubiquitin family P0CG48
BAG family molecular chaperone regulator 3 (BAG3) . O95817
DAZ-associated protein 2 (DAZAP2) . Q15038
Next to BRCA1 gene 1 protein (NBR1) . Q14596
NF-kappa-B essential modulator (IKBKG) . Q9Y6K9
Sequestosome-1 (SQSTM1) . Q13501
SH3 domain-containing kinase-binding protein 1 (SH3KBP1) . Q96B97
WD repeat and FYVE domain-containing protein 3 (WDFY3) . Q8IZQ1

The Drug(s) Related To This Target

Preclinical
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Imx-942 . D02NEZ

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 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.
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 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.
5 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.
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 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 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
10 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
11 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.
12 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.
13 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
14 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
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 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
17 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
18 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
19 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
20 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
21 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
22 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.
23 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.
24 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
25 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.
26 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
27 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
28 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.