Details of the Target

General Information of Target

Target ID LDTP09338
Target Name NEDD8-activating enzyme E1 catalytic subunit (UBA3)
Gene Name UBA3
Gene ID 9039
Synonyms
UBE1C; NEDD8-activating enzyme E1 catalytic subunit; EC 6.2.1.64; NEDD8-activating enzyme E1C; Ubiquitin-activating enzyme E1C; Ubiquitin-like modifier-activating enzyme 3; Ubiquitin-activating enzyme 3
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MADGEEPEKKRRRIEELLAEKMAVDGGCGDTGDWEGRWNHVKKFLERSGPFTHPDFEPST
ESLQFLLDTCKVLVIGAGGLGCELLKNLALSGFRQIHVIDMDTIDVSNLNRQFLFRPKDI
GRPKAEVAAEFLNDRVPNCNVVPHFNKIQDFNDTFYRQFHIIVCGLDSIIARRWINGMLI
SLLNYEDGVLDPSSIVPLIDGGTEGFKGNARVILPGMTACIECTLELYPPQVNFPMCTIA
SMPRLPEHCIEYVRMLQWPKEQPFGEGVPLDGDDPEHIQWIFQKSLERASQYNIRGVTYR
LTQGVVKRIIPAVASTNAVIAAVCATEVFKIATSAYIPLNNYLVFNDVDGLYTYTFEAER
KENCPACSQLPQNIQFSPSAKLQEVLDYLTNSASLQMKSPAITATLEGKNRTLYLQSVTS
IEERTRPNLSKTLKELGLVDGQELAVADVTTPQTVLFKLHFTS
Target Type
Literature-reported
Target Bioclass
Enzyme
Family
Ubiquitin-activating E1 family, UBA3 subfamily
Function
Catalytic subunit of the dimeric UBA3-NAE1 E1 enzyme. E1 activates NEDD8 by first adenylating its C-terminal glycine residue with ATP, thereafter linking this residue to the side chain of the catalytic cysteine, yielding a NEDD8-UBA3 thioester and free AMP. E1 finally transfers NEDD8 to the catalytic cysteine of UBE2M. Down-regulates steroid receptor activity. Necessary for cell cycle progression.
TTD ID
T96311
Uniprot ID
Q8TBC4
DrugMap ID
TTXZEUS
Ensemble ID
ENST00000349511.8
HGNC ID
HGNC:12470
ChEMBL ID
CHEMBL2016430

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
Ishikawa (Heraklio) 02 ER SNV: p.N110K DBIA    Probe Info 
KPL1 SNV: p.A380G DBIA    Probe Info 
LNCaP clone FGC SNV: p.E435D DBIA    Probe Info 
MCF7 SNV: p.A380G .
NALM6 SNV: p.E287G DBIA    Probe Info 
NCIH1703 SNV: p.I199T DBIA    Probe Info 
SW756 SNV: p.E247K DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 19 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
STPyne
 Probe Info  		K398(10.00)  LDD0277  [2]
BTD
 Probe Info  		C139(1.08)  LDD1700  [3]
HHS-482
 Probe Info  		Y252(0.80)  LDD0285  [4]
HHS-475
 Probe Info  		Y252(0.89); Y388(1.14)  LDD0264  [5]
IPM
 Probe Info  		C139(3.06); C249(2.85)  LDD1701  [3]
DBIA
 Probe Info  		C28(0.98)  LDD0078  [6]
ATP probe
 Probe Info  		K124(0.00); K307(0.00); K409(0.00)  LDD0199  [7]
4-Iodoacetamidophenylacetylene
 Probe Info  		C139(0.00); C324(0.00); C249(0.00); C164(0.00)  LDD0038  [8]
IA-alkyne
 Probe Info  		C139(0.00); C28(0.00)  LDD0032  [9]
IPIAA_L
 Probe Info  		C70(0.00); C139(0.00); C364(0.00)  LDD0031  [10]
Lodoacetamide azide
 Probe Info  		C139(0.00); C324(0.00); C249(0.00); C28(0.00)  LDD0037  [8]
TFBX
 Probe Info  		C70(0.00); C249(0.00)  LDD0148  [11]
1c-yne
 Probe Info  		N.A.  LDD0228  [12]
Acrolein
 Probe Info  		C28(0.00); C82(0.00); C367(0.00)  LDD0217  [13]
Methacrolein
 Probe Info  		N.A.  LDD0218  [13]
AOyne
 Probe Info  		12.90  LDD0443  [14]
NAIA_5
 Probe Info  		C139(0.00); C324(0.00); C249(0.00); C28(0.00)  LDD2223  [15]
HHS-465
 Probe Info  		N.A.  LDD2240  [16]
PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-2
 Probe Info  		N.A.  LDD0139  [17]

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 C249(0.66); C139(0.81)  LDD2142  [3]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C139(0.96)  LDD2112  [3]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C139(0.73)  LDD2130  [3]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C249(1.49); C139(1.13)  LDD2117  [3]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C249(1.58); C139(1.18)  LDD2152  [3]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C139(1.19)  LDD2103  [3]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C139(0.48)  LDD2132  [3]
 LDCM0214  AC1 HCT 116 C364(1.22); C367(1.22); C139(1.53); C28(1.18)  LDD0531  [6]
 LDCM0215  AC10 HCT 116 C364(1.33); C367(1.33); C28(1.29)  LDD0532  [6]
 LDCM0216  AC100 HCT 116 C364(4.18); C367(4.18); C28(0.99)  LDD0533  [6]
 LDCM0217  AC101 HCT 116 C364(1.00); C367(1.00); C28(0.91)  LDD0534  [6]
 LDCM0218  AC102 HCT 116 C364(1.08); C367(1.08); C28(0.99)  LDD0535  [6]
 LDCM0219  AC103 HCT 116 C364(0.76); C367(0.76); C28(1.26)  LDD0536  [6]
 LDCM0220  AC104 HCT 116 C364(0.93); C367(0.93); C28(1.15)  LDD0537  [6]
 LDCM0221  AC105 HCT 116 C364(0.76); C367(0.76); C28(1.05)  LDD0538  [6]
 LDCM0222  AC106 HCT 116 C364(1.05); C367(1.05); C28(1.15)  LDD0539  [6]
 LDCM0223  AC107 HCT 116 C364(0.69); C367(0.71); C28(1.26)  LDD0540  [6]
 LDCM0224  AC108 HCT 116 C364(0.79); C367(0.81); C28(1.06)  LDD0541  [6]
 LDCM0225  AC109 HCT 116 C364(0.99); C367(0.97); C28(0.82)  LDD0542  [6]
 LDCM0226  AC11 HCT 116 C364(1.68); C367(1.68); C28(1.45)  LDD0543  [6]
 LDCM0227  AC110 HCT 116 C364(0.84); C367(0.83); C28(1.02)  LDD0544  [6]
 LDCM0228  AC111 HCT 116 C364(0.86); C367(0.79); C28(0.94)  LDD0545  [6]
 LDCM0229  AC112 HCT 116 C364(0.73); C367(0.73); C28(1.06)  LDD0546  [6]
 LDCM0230  AC113 HCT 116 C364(0.95); C367(0.95); C28(1.05)  LDD0547  [6]
 LDCM0231  AC114 HCT 116 C364(0.94); C367(0.94); C28(1.26)  LDD0548  [6]
 LDCM0232  AC115 HCT 116 C364(1.02); C367(1.02); C28(1.47)  LDD0549  [6]
 LDCM0233  AC116 HCT 116 C364(0.91); C367(0.91); C28(1.54)  LDD0550  [6]
 LDCM0234  AC117 HCT 116 C364(1.05); C367(1.05); C28(1.26)  LDD0551  [6]
 LDCM0235  AC118 HCT 116 C364(1.05); C367(1.05); C28(1.29)  LDD0552  [6]
 LDCM0236  AC119 HCT 116 C364(1.14); C367(1.14); C28(1.45)  LDD0553  [6]
 LDCM0237  AC12 HCT 116 C364(1.53); C367(1.53); C28(1.22)  LDD0554  [6]
 LDCM0238  AC120 HCT 116 C364(1.02); C367(1.02); C28(1.28)  LDD0555  [6]
 LDCM0239  AC121 HCT 116 C364(1.28); C367(1.28); C28(1.22)  LDD0556  [6]
 LDCM0240  AC122 HCT 116 C364(1.14); C367(1.14); C28(1.19)  LDD0557  [6]
 LDCM0241  AC123 HCT 116 C364(1.47); C367(1.47); C28(1.11)  LDD0558  [6]
 LDCM0242  AC124 HCT 116 C364(1.29); C367(1.29); C28(1.09)  LDD0559  [6]
 LDCM0243  AC125 HCT 116 C364(1.22); C367(1.22); C28(1.09)  LDD0560  [6]
 LDCM0244  AC126 HCT 116 C364(1.02); C367(1.02); C28(1.37)  LDD0561  [6]
 LDCM0245  AC127 HCT 116 C364(1.25); C367(1.25); C28(1.24)  LDD0562  [6]
 LDCM0246  AC128 HCT 116 C364(3.68); C367(3.68); C28(1.23)  LDD0563  [6]
 LDCM0247  AC129 HCT 116 C364(2.41); C367(2.41); C28(0.94)  LDD0564  [6]
 LDCM0249  AC130 HCT 116 C364(1.55); C367(1.55); C28(1.36)  LDD0566  [6]
 LDCM0250  AC131 HCT 116 C364(1.48); C367(1.48); C28(0.91)  LDD0567  [6]
 LDCM0251  AC132 HCT 116 C364(1.09); C367(1.09); C28(1.17)  LDD0568  [6]
 LDCM0252  AC133 HCT 116 C364(1.34); C367(1.34); C28(1.27)  LDD0569  [6]
 LDCM0253  AC134 HCT 116 C364(1.06); C367(1.06); C28(1.35)  LDD0570  [6]
 LDCM0254  AC135 HCT 116 C364(1.27); C367(1.27); C28(1.30)  LDD0571  [6]
 LDCM0255  AC136 HCT 116 C364(1.03); C367(1.03); C28(1.48)  LDD0572  [6]
 LDCM0256  AC137 HCT 116 C364(1.35); C367(1.35); C28(1.20)  LDD0573  [6]
 LDCM0257  AC138 HCT 116 C364(0.72); C367(0.72); C28(1.24)  LDD0574  [6]
 LDCM0258  AC139 HCT 116 C364(0.75); C367(0.75); C28(1.54)  LDD0575  [6]
 LDCM0259  AC14 HCT 116 C364(1.49); C367(1.49); C28(1.23)  LDD0576  [6]
 LDCM0260  AC140 HCT 116 C364(0.70); C367(0.70); C28(1.39)  LDD0577  [6]
 LDCM0261  AC141 HCT 116 C364(0.75); C367(0.75); C28(1.66)  LDD0578  [6]
 LDCM0262  AC142 HCT 116 C364(0.98); C367(0.98); C28(1.35)  LDD0579  [6]
 LDCM0263  AC143 HCT 116 C364(1.16); C367(1.16); C139(1.00); C28(1.31)  LDD0580  [6]
 LDCM0264  AC144 HCT 116 C364(0.67); C367(0.67); C139(0.85); C28(1.41)  LDD0581  [6]
 LDCM0265  AC145 HCT 116 C139(0.80); C364(0.81); C367(0.81); C28(1.28)  LDD0582  [6]
 LDCM0266  AC146 HCT 116 C364(0.67); C367(0.67); C139(0.71); C28(1.39)  LDD0583  [6]
 LDCM0267  AC147 HCT 116 C364(0.75); C367(0.75); C139(1.12); C28(1.43)  LDD0584  [6]
 LDCM0268  AC148 HCT 116 C364(0.29); C367(0.29); C139(0.66); C28(1.75)  LDD0585  [6]
 LDCM0269  AC149 HCT 116 C364(0.56); C367(0.56); C139(0.73); C28(1.69)  LDD0586  [6]
 LDCM0270  AC15 HCT 116 C364(1.06); C367(1.06); C28(1.34)  LDD0587  [6]
 LDCM0271  AC150 HCT 116 C139(0.86); C28(1.26); C364(2.22); C367(2.22)  LDD0588  [6]
 LDCM0272  AC151 HCT 116 C139(0.96); C364(1.03); C367(1.03); C28(1.30)  LDD0589  [6]
 LDCM0273  AC152 HCT 116 C364(0.53); C367(0.53); C139(0.86); C28(1.51)  LDD0590  [6]
 LDCM0274  AC153 HCT 116 C364(0.24); C367(0.24); C139(0.62); C28(1.99)  LDD0591  [6]
 LDCM0621  AC154 HCT 116 C364(0.77); C367(0.77); C139(0.98); C28(1.33)  LDD2158  [6]
 LDCM0622  AC155 HCT 116 C364(0.96); C367(0.96); C139(0.82); C28(1.37)  LDD2159  [6]
 LDCM0623  AC156 HCT 116 C364(0.94); C367(0.94); C139(0.88); C28(1.18)  LDD2160  [6]
 LDCM0624  AC157 HCT 116 C364(0.90); C367(0.90); C139(0.83); C28(1.08)  LDD2161  [6]
 LDCM0276  AC17 HCT 116 C28(1.10); C364(1.34); C367(1.34)  LDD0593  [6]
 LDCM0277  AC18 HCT 116 C364(1.21); C367(1.21); C28(1.59)  LDD0594  [6]
 LDCM0278  AC19 HCT 116 C28(1.02); C364(1.31); C367(1.31)  LDD0595  [6]
 LDCM0279  AC2 HCT 116 C364(0.98); C367(0.98); C139(1.03); C28(1.21)  LDD0596  [6]
 LDCM0280  AC20 HCT 116 C364(0.97); C367(0.97); C28(1.11)  LDD0597  [6]
 LDCM0281  AC21 HCT 116 C28(1.07); C364(1.20); C367(1.20)  LDD0598  [6]
 LDCM0282  AC22 HCT 116 C364(1.19); C367(1.19); C28(1.21)  LDD0599  [6]
 LDCM0283  AC23 HCT 116 C28(1.05); C364(1.11); C367(1.11)  LDD0600  [6]
 LDCM0284  AC24 HCT 116 C28(1.12); C364(1.60); C367(1.60)  LDD0601  [6]
 LDCM0285  AC25 HCT 116 C28(1.04); C364(1.66); C367(1.66)  LDD0602  [6]
 LDCM0286  AC26 HCT 116 C364(0.75); C367(0.75); C28(1.17)  LDD0603  [6]
 LDCM0287  AC27 HCT 116 C364(0.93); C367(0.93); C28(1.20)  LDD0604  [6]
 LDCM0288  AC28 HCT 116 C364(0.84); C367(0.84); C28(1.23)  LDD0605  [6]
 LDCM0289  AC29 HCT 116 C364(0.45); C367(0.45); C28(1.19)  LDD0606  [6]
 LDCM0290  AC3 HCT 116 C364(1.15); C367(1.15); C28(1.19); C139(1.52)  LDD0607  [6]
 LDCM0291  AC30 HCT 116 C364(0.56); C367(0.56); C28(1.41)  LDD0608  [6]
 LDCM0292  AC31 HCT 116 C364(0.64); C367(0.64); C28(1.34)  LDD0609  [6]
 LDCM0293  AC32 HCT 116 C364(0.47); C367(0.47); C28(1.40)  LDD0610  [6]
 LDCM0294  AC33 HCT 116 C364(0.88); C367(0.88); C28(1.28)  LDD0611  [6]
 LDCM0295  AC34 HCT 116 C364(0.97); C367(0.97); C28(1.54)  LDD0612  [6]
 LDCM0296  AC35 HCT 116 C28(0.81); C364(1.63); C367(1.63)  LDD0613  [6]
 LDCM0297  AC36 HCT 116 C28(0.94); C364(1.25); C367(1.25)  LDD0614  [6]
 LDCM0298  AC37 HCT 116 C28(0.98); C364(1.18); C367(1.18)  LDD0615  [6]
 LDCM0299  AC38 HCT 116 C28(0.95); C364(1.13); C367(1.13)  LDD0616  [6]
 LDCM0300  AC39 HCT 116 C364(0.90); C367(0.90); C28(1.11)  LDD0617  [6]
 LDCM0301  AC4 HCT 116 C28(1.25); C364(1.38); C367(1.38); C139(2.03)  LDD0618  [6]
 LDCM0302  AC40 HCT 116 C364(0.68); C367(0.68); C28(1.07)  LDD0619  [6]
 LDCM0303  AC41 HCT 116 C28(0.98); C364(1.03); C367(1.03)  LDD0620  [6]
 LDCM0304  AC42 HCT 116 C364(0.94); C367(0.94); C28(1.11)  LDD0621  [6]
 LDCM0305  AC43 HCT 116 C364(0.73); C367(0.73); C28(1.11)  LDD0622  [6]
 LDCM0306  AC44 HCT 116 C364(0.89); C367(0.89); C28(1.06)  LDD0623  [6]
 LDCM0307  AC45 HCT 116 C364(0.67); C367(0.67); C28(1.20)  LDD0624  [6]
 LDCM0308  AC46 HCT 116 C139(0.62); C364(0.70); C367(0.70); C28(1.07)  LDD0625  [6]
 LDCM0309  AC47 HCT 116 C364(0.69); C367(0.69); C139(0.82); C28(1.04)  LDD0626  [6]
 LDCM0310  AC48 HCT 116 C364(0.43); C367(0.43); C139(0.65); C28(1.05)  LDD0627  [6]
 LDCM0311  AC49 HCT 116 C364(0.32); C367(0.32); C139(0.61); C28(1.28)  LDD0628  [6]
 LDCM0312  AC5 HCT 116 C28(1.25); C364(1.28); C367(1.28); C139(1.91)  LDD0629  [6]
 LDCM0313  AC50 HCT 116 C364(0.40); C367(0.40); C139(0.63); C28(1.36)  LDD0630  [6]
 LDCM0314  AC51 HCT 116 C139(0.61); C364(0.87); C367(0.87); C28(0.94)  LDD0631  [6]
 LDCM0315  AC52 HCT 116 C139(0.62); C364(0.75); C367(0.75); C28(1.00)  LDD0632  [6]
 LDCM0316  AC53 HCT 116 C364(0.64); C367(0.64); C139(0.98); C28(1.16)  LDD0633  [6]
 LDCM0317  AC54 HCT 116 C364(0.60); C367(0.60); C139(0.66); C28(1.11)  LDD0634  [6]
 LDCM0318  AC55 HCT 116 C364(0.46); C367(0.46); C28(1.38); C139(1.51)  LDD0635  [6]
 LDCM0319  AC56 HCT 116 C364(0.21); C367(0.21); C139(0.70); C28(1.81)  LDD0636  [6]
 LDCM0320  AC57 HCT 116 C364(0.61); C367(0.61); C28(1.28)  LDD0637  [6]
 LDCM0321  AC58 HCT 116 C364(0.57); C367(0.57); C28(1.46)  LDD0638  [6]
 LDCM0322  AC59 HCT 116 C364(0.56); C367(0.56); C28(1.65)  LDD0639  [6]
 LDCM0323  AC6 HCT 116 C364(0.77); C367(0.77); C28(1.27)  LDD0640  [6]
 LDCM0324  AC60 HCT 116 C364(0.55); C367(0.55); C28(1.49)  LDD0641  [6]
 LDCM0325  AC61 HCT 116 C364(0.46); C367(0.46); C28(1.53)  LDD0642  [6]
 LDCM0326  AC62 HCT 116 C364(0.50); C367(0.50); C28(1.63)  LDD0643  [6]
 LDCM0327  AC63 HCT 116 C364(0.76); C367(0.76); C28(1.55)  LDD0644  [6]
 LDCM0328  AC64 HCT 116 C364(0.63); C367(0.63); C28(1.60)  LDD0645  [6]
 LDCM0329  AC65 HCT 116 C364(0.50); C367(0.50); C28(1.77)  LDD0646  [6]
 LDCM0330  AC66 HCT 116 C364(0.55); C367(0.55); C28(1.65)  LDD0647  [6]
 LDCM0331  AC67 HCT 116 C364(0.37); C367(0.37); C28(1.87)  LDD0648  [6]
 LDCM0332  AC68 HCT 116 C364(0.78); C367(0.78); C139(0.96); C28(1.14)  LDD0649  [6]
 LDCM0333  AC69 HCT 116 C364(0.68); C367(0.68); C28(1.05); C139(1.22)  LDD0650  [6]
 LDCM0334  AC7 HCT 116 C364(0.91); C367(0.91); C28(1.13)  LDD0651  [6]
 LDCM0335  AC70 HCT 116 C364(0.42); C367(0.42); C139(0.96); C28(1.09)  LDD0652  [6]
 LDCM0336  AC71 HCT 116 C364(0.91); C367(0.91); C28(1.03); C139(1.34)  LDD0653  [6]
 LDCM0337  AC72 HCT 116 C364(0.75); C367(0.75); C139(1.10); C28(1.12)  LDD0654  [6]
 LDCM0338  AC73 HCT 116 C364(0.33); C367(0.33); C139(1.03); C28(1.43)  LDD0655  [6]
 LDCM0339  AC74 HCT 116 C364(0.50); C367(0.50); C139(1.31); C28(1.47)  LDD0656  [6]
 LDCM0340  AC75 HCT 116 C364(0.36); C367(0.36); C139(1.01); C28(1.53)  LDD0657  [6]
 LDCM0341  AC76 HCT 116 C364(0.71); C367(0.71); C139(1.34); C28(1.42)  LDD0658  [6]
 LDCM0342  AC77 HCT 116 C364(0.60); C367(0.60); C139(1.01); C28(1.24)  LDD0659  [6]
 LDCM0343  AC78 HCT 116 C364(0.71); C367(0.71); C28(1.07); C139(1.36)  LDD0660  [6]
 LDCM0344  AC79 HCT 116 C364(0.81); C367(0.81); C139(0.84); C28(1.20)  LDD0661  [6]
 LDCM0345  AC8 HCT 116 C364(1.01); C367(1.01); C28(1.40)  LDD0662  [6]
 LDCM0346  AC80 HCT 116 C364(0.84); C367(0.84); C28(1.16); C139(1.52)  LDD0663  [6]
 LDCM0347  AC81 HCT 116 C364(0.88); C367(0.88); C139(1.04); C28(1.04)  LDD0664  [6]
 LDCM0348  AC82 HCT 116 C364(0.41); C367(0.41); C139(1.21); C28(1.58)  LDD0665  [6]
 LDCM0349  AC83 HCT 116 C364(0.55); C367(0.55); C28(1.36)  LDD0666  [6]
 LDCM0350  AC84 HCT 116 C364(0.52); C367(0.52); C28(1.39)  LDD0667  [6]
 LDCM0351  AC85 HCT 116 C364(0.69); C367(0.69); C28(1.33)  LDD0668  [6]
 LDCM0352  AC86 HCT 116 C364(0.87); C367(0.87); C28(1.12)  LDD0669  [6]
 LDCM0353  AC87 HCT 116 C364(0.92); C367(0.92); C28(0.95)  LDD0670  [6]
 LDCM0354  AC88 HCT 116 C364(0.91); C367(0.91); C28(1.02)  LDD0671  [6]
 LDCM0355  AC89 HCT 116 C364(0.70); C367(0.70); C28(1.12)  LDD0672  [6]
 LDCM0357  AC90 HCT 116 C28(0.97); C364(1.19); C367(1.19)  LDD0674  [6]
 LDCM0358  AC91 HCT 116 C364(0.63); C367(0.63); C28(1.44)  LDD0675  [6]
 LDCM0359  AC92 HCT 116 C364(0.66); C367(0.66); C28(1.45)  LDD0676  [6]
 LDCM0360  AC93 HCT 116 C364(0.92); C367(0.92); C28(1.16)  LDD0677  [6]
 LDCM0361  AC94 HCT 116 C28(1.09); C364(1.33); C367(1.33)  LDD0678  [6]
 LDCM0362  AC95 HCT 116 C364(0.85); C367(0.85); C28(0.97)  LDD0679  [6]
 LDCM0363  AC96 HCT 116 C364(1.05); C367(1.05); C28(1.21)  LDD0680  [6]
 LDCM0364  AC97 HCT 116 C364(0.64); C367(0.64); C28(1.40)  LDD0681  [6]
 LDCM0365  AC98 HCT 116 C364(0.27); C367(0.27); C28(1.35)  LDD0682  [6]
 LDCM0366  AC99 HCT 116 C28(0.93); C364(1.01); C367(1.01)  LDD0683  [6]
 LDCM0545  Acetamide MDA-MB-231 C139(0.27)  LDD2138  [3]
 LDCM0520  AKOS000195272 MDA-MB-231 C249(0.77); C139(0.89)  LDD2113  [3]
 LDCM0248  AKOS034007472 HCT 116 C364(1.19); C367(1.19); C28(1.22)  LDD0565  [6]
 LDCM0356  AKOS034007680 HCT 116 C28(1.14); C364(1.16); C367(1.16)  LDD0673  [6]
 LDCM0275  AKOS034007705 HCT 116 C364(0.72); C367(0.72); C28(1.77)  LDD0592  [6]
 LDCM0156  Aniline NCI-H1299 12.02  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C28(0.98)  LDD0078  [6]
 LDCM0498  BS-3668 MDA-MB-231 C139(0.44)  LDD2091  [3]
 LDCM0630  CCW28-3 231MFP C237(1.45)  LDD2214  [18]
 LDCM0108  Chloroacetamide HeLa C82(0.00); C249(0.00); C139(0.00); C28(0.00)  LDD0222  [13]
 LDCM0367  CL1 HCT 116 C364(0.89); C367(0.89); C28(0.97)  LDD0684  [6]
 LDCM0368  CL10 HCT 116 C364(0.43); C367(0.43); C28(1.31)  LDD0685  [6]
 LDCM0369  CL100 HCT 116 C364(1.06); C367(1.06); C28(1.25); C139(1.69)  LDD0686  [6]
 LDCM0370  CL101 HCT 116 C364(0.95); C367(0.95); C28(1.33)  LDD0687  [6]
 LDCM0371  CL102 HCT 116 C28(1.09); C364(1.28); C367(1.28)  LDD0688  [6]
 LDCM0372  CL103 HCT 116 C28(1.10); C364(1.60); C367(1.60)  LDD0689  [6]
 LDCM0373  CL104 HCT 116 C364(1.00); C367(1.00); C28(1.16)  LDD0690  [6]
 LDCM0374  CL105 HCT 116 C364(1.11); C367(1.11); C28(1.22)  LDD0691  [6]
 LDCM0375  CL106 HCT 116 C364(1.02); C367(1.02); C28(1.69)  LDD0692  [6]
 LDCM0376  CL107 HCT 116 C364(0.79); C367(0.79); C28(1.30)  LDD0693  [6]
 LDCM0377  CL108 HCT 116 C364(1.22); C367(1.22); C28(1.42)  LDD0694  [6]
 LDCM0378  CL109 HCT 116 C364(0.97); C367(0.97); C28(1.07)  LDD0695  [6]
 LDCM0379  CL11 HCT 116 C364(0.80); C367(0.80); C28(1.59)  LDD0696  [6]
 LDCM0380  CL110 HCT 116 C364(1.24); C367(1.24); C28(1.41)  LDD0697  [6]
 LDCM0381  CL111 HCT 116 C364(0.95); C367(0.95); C28(1.09)  LDD0698  [6]
 LDCM0382  CL112 HCT 116 C364(0.96); C367(0.96); C28(1.15)  LDD0699  [6]
 LDCM0383  CL113 HCT 116 C364(0.55); C367(0.55); C28(1.39)  LDD0700  [6]
 LDCM0384  CL114 HCT 116 C364(0.48); C367(0.48); C28(1.25)  LDD0701  [6]
 LDCM0385  CL115 HCT 116 C364(0.58); C367(0.58); C28(1.22)  LDD0702  [6]
 LDCM0386  CL116 HCT 116 C364(0.84); C367(0.84); C28(1.30)  LDD0703  [6]
 LDCM0387  CL117 HCT 116 C364(0.54); C367(0.54); C28(1.38)  LDD0704  [6]
 LDCM0388  CL118 HCT 116 C364(0.82); C367(0.82); C28(1.09)  LDD0705  [6]
 LDCM0389  CL119 HCT 116 C364(0.75); C367(0.75); C28(1.18)  LDD0706  [6]
 LDCM0390  CL12 HCT 116 C364(0.51); C367(0.51); C28(1.63)  LDD0707  [6]
 LDCM0391  CL120 HCT 116 C364(1.07); C367(1.07); C28(1.08)  LDD0708  [6]
 LDCM0392  CL121 HCT 116 C139(0.80); C28(1.13); C364(2.71); C367(2.71)  LDD0709  [6]
 LDCM0393  CL122 HCT 116 C364(0.40); C367(0.40); C139(0.72); C28(1.23)  LDD0710  [6]
 LDCM0394  CL123 HCT 116 C364(0.53); C367(0.53); C139(0.74); C28(1.03)  LDD0711  [6]
 LDCM0395  CL124 HCT 116 C364(0.38); C367(0.38); C139(0.68); C28(1.31)  LDD0712  [6]
 LDCM0396  CL125 HCT 116 C28(1.09); C364(1.13); C367(1.13)  LDD0713  [6]
 LDCM0397  CL126 HCT 116 C364(0.70); C367(0.70); C28(1.26)  LDD0714  [6]
 LDCM0398  CL127 HCT 116 C364(0.78); C367(0.78); C28(1.16)  LDD0715  [6]
 LDCM0399  CL128 HCT 116 C364(0.63); C367(0.63); C28(1.43)  LDD0716  [6]
 LDCM0400  CL13 HCT 116 C364(0.56); C367(0.56); C28(1.48)  LDD0717  [6]
 LDCM0401  CL14 HCT 116 C364(0.86); C367(0.86); C28(1.15)  LDD0718  [6]
 LDCM0402  CL15 HCT 116 C364(0.79); C367(0.79); C28(1.27)  LDD0719  [6]
 LDCM0403  CL16 HCT 116 C364(0.75); C367(0.75); C28(1.09)  LDD0720  [6]
 LDCM0404  CL17 HCT 116 C364(0.86); C367(0.86); C28(1.06)  LDD0721  [6]
 LDCM0405  CL18 HCT 116 C364(0.57); C367(0.57); C28(1.20)  LDD0722  [6]
 LDCM0406  CL19 HCT 116 C364(0.69); C367(0.69); C28(1.28)  LDD0723  [6]
 LDCM0407  CL2 HCT 116 C364(0.87); C367(0.87); C28(1.10)  LDD0724  [6]
 LDCM0408  CL20 HCT 116 C364(0.73); C367(0.73); C28(1.29)  LDD0725  [6]
 LDCM0409  CL21 HCT 116 C364(0.61); C367(0.61); C28(1.35)  LDD0726  [6]
 LDCM0410  CL22 HCT 116 C364(0.45); C367(0.45); C28(1.78)  LDD0727  [6]
 LDCM0411  CL23 HCT 116 C364(0.86); C367(0.86); C28(1.14)  LDD0728  [6]
 LDCM0412  CL24 HCT 116 C364(0.50); C367(0.50); C28(1.48)  LDD0729  [6]
 LDCM0413  CL25 HCT 116 C364(0.56); C367(0.56); C28(1.56)  LDD0730  [6]
 LDCM0414  CL26 HCT 116 C364(0.75); C367(0.75); C28(1.12)  LDD0731  [6]
 LDCM0415  CL27 HCT 116 C364(0.87); C367(0.87); C28(1.16)  LDD0732  [6]
 LDCM0416  CL28 HCT 116 C364(0.65); C367(0.65); C28(1.29)  LDD0733  [6]
 LDCM0417  CL29 HCT 116 C364(0.63); C367(0.63); C28(1.23)  LDD0734  [6]
 LDCM0418  CL3 HCT 116 C364(0.97); C367(0.97); C28(1.05)  LDD0735  [6]
 LDCM0419  CL30 HCT 116 C364(0.86); C367(0.86); C28(1.14)  LDD0736  [6]
 LDCM0420  CL31 HCT 116 C364(0.65); C367(0.65); C139(1.11); C28(1.06)  LDD0737  [6]
 LDCM0421  CL32 HCT 116 C364(0.36); C367(0.36); C139(0.95); C28(1.12)  LDD0738  [6]
 LDCM0422  CL33 HCT 116 C364(0.54); C367(0.54); C139(0.86); C28(1.04)  LDD0739  [6]
 LDCM0423  CL34 HCT 116 C364(0.51); C367(0.51); C139(0.74); C28(1.35)  LDD0740  [6]
 LDCM0424  CL35 HCT 116 C364(0.48); C367(0.48); C139(0.74); C28(1.25)  LDD0741  [6]
 LDCM0425  CL36 HCT 116 C364(0.59); C367(0.59); C139(0.81); C28(1.31)  LDD0742  [6]
 LDCM0426  CL37 HCT 116 C364(0.51); C367(0.51); C139(0.98); C28(1.22)  LDD0743  [6]
 LDCM0428  CL39 HCT 116 C364(0.41); C367(0.41); C139(1.22); C28(1.45)  LDD0745  [6]
 LDCM0429  CL4 HCT 116 C364(1.18); C367(1.18); C28(1.10)  LDD0746  [6]
 LDCM0430  CL40 HCT 116 C364(0.57); C367(0.57); C139(1.15); C28(1.13)  LDD0747  [6]
 LDCM0431  CL41 HCT 116 C364(0.97); C367(0.97); C139(1.04); C28(1.18)  LDD0748  [6]
 LDCM0432  CL42 HCT 116 C364(0.30); C367(0.30); C139(0.98); C28(1.86)  LDD0749  [6]
 LDCM0433  CL43 HCT 116 C364(0.46); C367(0.46); C139(1.18); C28(1.26)  LDD0750  [6]
 LDCM0434  CL44 HCT 116 C364(0.58); C367(0.58); C139(1.14); C28(1.24)  LDD0751  [6]
 LDCM0435  CL45 HCT 116 C364(0.38); C367(0.38); C139(0.97); C28(1.68)  LDD0752  [6]
 LDCM0436  CL46 HCT 116 C139(0.34); C28(0.71)  LDD0753  [6]
 LDCM0437  CL47 HCT 116 C139(0.65); C28(0.71)  LDD0754  [6]
 LDCM0438  CL48 HCT 116 C139(0.90); C28(0.72)  LDD0755  [6]
 LDCM0439  CL49 HCT 116 C139(1.04); C28(0.71)  LDD0756  [6]
 LDCM0440  CL5 HCT 116 C364(0.93); C367(0.93); C28(1.16)  LDD0757  [6]
 LDCM0441  CL50 HCT 116 C139(1.14); C28(0.68)  LDD0758  [6]
 LDCM0442  CL51 HCT 116 C139(1.08); C28(0.84)  LDD0759  [6]
 LDCM0443  CL52 HCT 116 C139(0.73); C28(0.76)  LDD0760  [6]
 LDCM0444  CL53 HCT 116 C139(0.62); C28(0.77)  LDD0761  [6]
 LDCM0445  CL54 HCT 116 C139(0.85); C28(0.71)  LDD0762  [6]
 LDCM0446  CL55 HCT 116 C139(0.73); C28(0.75)  LDD0763  [6]
 LDCM0447  CL56 HCT 116 C139(0.54); C28(1.27)  LDD0764  [6]
 LDCM0448  CL57 HCT 116 C139(0.80); C28(0.73)  LDD0765  [6]
 LDCM0449  CL58 HCT 116 C139(0.79); C28(0.72)  LDD0766  [6]
 LDCM0450  CL59 HCT 116 C139(0.84); C28(0.81)  LDD0767  [6]
 LDCM0451  CL6 HCT 116 C364(0.61); C367(0.61); C28(1.30)  LDD0768  [6]
 LDCM0452  CL60 HCT 116 C139(1.03); C28(0.74)  LDD0769  [6]
 LDCM0453  CL61 HCT 116 C364(0.73); C367(0.73); C28(1.04)  LDD0770  [6]
 LDCM0454  CL62 HCT 116 C364(0.72); C367(0.72); C28(1.04)  LDD0771  [6]
 LDCM0455  CL63 HCT 116 C364(0.55); C367(0.55); C28(1.31)  LDD0772  [6]
 LDCM0456  CL64 HCT 116 C364(0.54); C367(0.54); C28(1.30)  LDD0773  [6]
 LDCM0457  CL65 HCT 116 C364(0.91); C367(0.91); C28(1.10)  LDD0774  [6]
 LDCM0458  CL66 HCT 116 C364(0.38); C367(0.38); C28(1.51)  LDD0775  [6]
 LDCM0459  CL67 HCT 116 C364(0.56); C367(0.56); C28(1.36)  LDD0776  [6]
 LDCM0460  CL68 HCT 116 C364(0.44); C367(0.44); C28(1.16)  LDD0777  [6]
 LDCM0461  CL69 HCT 116 C364(0.54); C367(0.54); C28(1.03)  LDD0778  [6]
 LDCM0462  CL7 HCT 116 C364(0.60); C367(0.60); C28(1.42)  LDD0779  [6]
 LDCM0463  CL70 HCT 116 C364(0.43); C367(0.43); C28(1.19)  LDD0780  [6]
 LDCM0464  CL71 HCT 116 C364(0.60); C367(0.60); C28(1.21)  LDD0781  [6]
 LDCM0465  CL72 HCT 116 C364(1.12); C367(1.12); C28(1.05)  LDD0782  [6]
 LDCM0466  CL73 HCT 116 C364(0.61); C367(0.61); C28(1.22)  LDD0783  [6]
 LDCM0467  CL74 HCT 116 C364(0.60); C367(0.60); C28(1.27)  LDD0784  [6]
 LDCM0469  CL76 HCT 116 C364(0.62); C367(0.68); C28(1.07)  LDD0786  [6]
 LDCM0470  CL77 HCT 116 C364(0.99); C367(0.97); C28(0.98)  LDD0787  [6]
 LDCM0471  CL78 HCT 116 C364(1.01); C367(0.91); C28(1.28)  LDD0788  [6]
 LDCM0472  CL79 HCT 116 C364(0.62); C367(0.66); C28(1.40)  LDD0789  [6]
 LDCM0473  CL8 HCT 116 C364(0.64); C367(0.64); C28(1.34)  LDD0790  [6]
 LDCM0474  CL80 HCT 116 C364(0.59); C367(0.58); C28(1.14)  LDD0791  [6]
 LDCM0475  CL81 HCT 116 C364(0.78); C367(0.81); C28(1.17)  LDD0792  [6]
 LDCM0476  CL82 HCT 116 C364(0.54); C367(0.53); C28(1.71)  LDD0793  [6]
 LDCM0477  CL83 HCT 116 C364(0.49); C367(0.59); C28(1.44)  LDD0794  [6]
 LDCM0478  CL84 HCT 116 C364(0.33); C367(0.52); C28(1.87)  LDD0795  [6]
 LDCM0479  CL85 HCT 116 C364(0.67); C367(0.75); C28(1.28)  LDD0796  [6]
 LDCM0480  CL86 HCT 116 C364(1.32); C367(1.37); C28(1.17)  LDD0797  [6]
 LDCM0481  CL87 HCT 116 C364(1.18); C367(1.22); C28(1.33)  LDD0798  [6]
 LDCM0482  CL88 HCT 116 C364(0.50); C367(0.55); C28(1.49)  LDD0799  [6]
 LDCM0483  CL89 HCT 116 C364(0.42); C367(0.43); C28(2.21)  LDD0800  [6]
 LDCM0484  CL9 HCT 116 C364(0.69); C367(0.69); C28(1.24)  LDD0801  [6]
 LDCM0485  CL90 HCT 116 C364(0.85); C367(0.93); C28(0.90)  LDD0802  [6]
 LDCM0486  CL91 HCT 116 C364(1.17); C367(1.17); C139(0.81); C28(1.03)  LDD0803  [6]
 LDCM0487  CL92 HCT 116 C364(1.26); C367(1.26); C139(0.70); C28(1.00)  LDD0804  [6]
 LDCM0488  CL93 HCT 116 C364(1.40); C367(1.40); C139(0.95); C28(1.04)  LDD0805  [6]
 LDCM0489  CL94 HCT 116 C364(1.66); C367(1.66); C139(1.03); C28(1.09)  LDD0806  [6]
 LDCM0490  CL95 HCT 116 C364(1.32); C367(1.32); C139(0.71); C28(1.30)  LDD0807  [6]
 LDCM0491  CL96 HCT 116 C364(1.15); C367(1.15); C139(0.83); C28(1.08)  LDD0808  [6]
 LDCM0492  CL97 HCT 116 C364(0.96); C367(0.96); C139(0.86); C28(1.22)  LDD0809  [6]
 LDCM0493  CL98 HCT 116 C364(0.91); C367(0.91); C139(1.17); C28(1.28)  LDD0810  [6]
 LDCM0494  CL99 HCT 116 C364(1.21); C367(1.21); C139(1.93); C28(1.21)  LDD0811  [6]
 LDCM0634  CY-0357 Hep-G2 C28(0.35)  LDD2228  [15]
 LDCM0495  E2913 HEK-293T C28(0.99); C139(1.07); C70(0.94); C82(0.93)  LDD1698  [19]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C249(1.07); C139(0.61)  LDD1702  [3]
 LDCM0625  F8 Ramos C139(1.14); C70(0.96)  LDD2187  [20]
 LDCM0572  Fragment10 MDA-MB-231 C237(2.77)  LDD1389  [21]
 LDCM0573  Fragment11 MDA-MB-231 C237(2.66)  LDD1391  [21]
 LDCM0574  Fragment12 MDA-MB-231 C237(1.73)  LDD1393  [21]
 LDCM0575  Fragment13 Ramos C237(1.22)  LDD1396  [21]
 LDCM0576  Fragment14 MDA-MB-231 C237(1.85)  LDD1397  [21]
 LDCM0577  Fragment15 Ramos C237(1.19)  LDD1400  [21]
 LDCM0579  Fragment20 MDA-MB-231 C237(2.03)  LDD1402  [21]
 LDCM0580  Fragment21 Ramos C139(0.91)  LDD2195  [20]
 LDCM0582  Fragment23 MDA-MB-231 C237(0.80)  LDD1408  [21]
 LDCM0583  Fragment24 Ramos C237(0.95)  LDD1410  [21]
 LDCM0585  Fragment26 Ramos C237(1.08)  LDD1412  [21]
 LDCM0578  Fragment27 MDA-MB-231 C237(1.20)  LDD1401  [21]
 LDCM0586  Fragment28 Ramos C237(0.97)  LDD1416  [21]
 LDCM0587  Fragment29 MDA-MB-231 C237(1.31)  LDD1417  [21]
 LDCM0588  Fragment30 MDA-MB-231 C237(0.99)  LDD1419  [21]
 LDCM0589  Fragment31 Ramos C237(1.00)  LDD1422  [21]
 LDCM0590  Fragment32 MDA-MB-231 C237(2.18)  LDD1423  [21]
 LDCM0468  Fragment33 HCT 116 C364(0.77); C367(0.77); C28(1.18)  LDD0785  [6]
 LDCM0594  Fragment36 MDA-MB-231 C237(1.06)  LDD1431  [21]
 LDCM0596  Fragment38 MDA-MB-231 C237(1.20)  LDD1433  [21]
 LDCM0597  Fragment39 MDA-MB-231 C237(2.19)  LDD1435  [21]
 LDCM0566  Fragment4 MDA-MB-231 C237(1.35)  LDD1378  [21]
 LDCM0598  Fragment40 Ramos C237(1.16)  LDD1437  [21]
 LDCM0600  Fragment42 Ramos C237(0.84)  LDD1440  [21]
 LDCM0601  Fragment43 MDA-MB-231 C237(2.85)  LDD1441  [21]
 LDCM0604  Fragment46 MDA-MB-231 C237(0.95)  LDD1445  [21]
 LDCM0605  Fragment47 MDA-MB-231 C237(1.30)  LDD1446  [21]
 LDCM0606  Fragment48 MDA-MB-231 C237(1.08)  LDD1447  [21]
 LDCM0608  Fragment50 MDA-MB-231 C237(1.60)  LDD1449  [21]
 LDCM0427  Fragment51 HCT 116 C364(0.34); C367(0.34); C139(0.72); C28(1.57)  LDD0744  [6]
 LDCM0610  Fragment52 MDA-MB-231 C237(1.06)  LDD1452  [21]
 LDCM0611  Fragment53 Ramos C237(0.98)  LDD1455  [21]
 LDCM0614  Fragment56 Ramos C237(1.14)  LDD1459  [21]
 LDCM0568  Fragment6 MDA-MB-231 C237(0.77)  LDD1382  [21]
 LDCM0569  Fragment7 MDA-MB-231 C237(1.27)  LDD1383  [21]
 LDCM0570  Fragment8 MDA-MB-231 C237(20.00)  LDD1385  [21]
 LDCM0571  Fragment9 MDA-MB-231 C237(2.52)  LDD1387  [21]
 LDCM0116  HHS-0101 DM93 Y252(0.89); Y388(1.14)  LDD0264  [5]
 LDCM0117  HHS-0201 DM93 Y252(0.88); Y388(1.17)  LDD0265  [5]
 LDCM0118  HHS-0301 DM93 Y252(0.87); Y388(1.56)  LDD0266  [5]
 LDCM0119  HHS-0401 DM93 Y252(0.94); Y388(1.46)  LDD0267  [5]
 LDCM0120  HHS-0701 DM93 Y252(0.94); Y388(1.69)  LDD0268  [5]
 LDCM0107  IAA HeLa C367(0.00); C364(0.00)  LDD0221  [13]
 LDCM0123  JWB131 DM93 Y252(0.80)  LDD0285  [4]
 LDCM0124  JWB142 DM93 Y252(0.77)  LDD0286  [4]
 LDCM0125  JWB146 DM93 Y252(0.82)  LDD0287  [4]
 LDCM0126  JWB150 DM93 Y252(1.82)  LDD0288  [4]
 LDCM0127  JWB152 DM93 Y252(1.67)  LDD0289  [4]
 LDCM0128  JWB198 DM93 Y252(1.30)  LDD0290  [4]
 LDCM0129  JWB202 DM93 Y252(0.58)  LDD0291  [4]
 LDCM0130  JWB211 DM93 Y252(0.82)  LDD0292  [4]
 LDCM0022  KB02 HCT 116 C364(2.77); C367(2.77); C28(1.13)  LDD0080  [6]
 LDCM0023  KB03 HCT 116 C364(3.76); C367(3.76); C28(1.11)  LDD0081  [6]
 LDCM0024  KB05 HCT 116 C364(1.91); C367(1.91); C28(1.17)  LDD0082  [6]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C139(0.45)  LDD2121  [3]
 LDCM0109  NEM HeLa C249(0.00); H97(0.00)  LDD0224  [13]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C249(1.11); C139(0.46)  LDD2089  [3]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C139(1.02)  LDD2090  [3]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C249(1.02); C139(0.82)  LDD2092  [3]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C249(1.65); C139(0.98)  LDD2093  [3]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C249(1.96); C139(1.16)  LDD2094  [3]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C249(0.38); C139(0.92)  LDD2096  [3]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C139(0.82)  LDD2097  [3]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C249(0.87); C139(0.97)  LDD2098  [3]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C249(1.63); C139(0.89)  LDD2099  [3]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C139(0.96)  LDD2101  [3]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C249(0.57); C139(0.63)  LDD2104  [3]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C139(1.25)  LDD2105  [3]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C249(1.26); C139(0.65)  LDD2107  [3]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C249(0.98); C139(0.52)  LDD2109  [3]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C139(0.73)  LDD2110  [3]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C249(1.85); C139(1.16)  LDD2111  [3]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C249(0.63); C139(0.63)  LDD2114  [3]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C249(0.48); C139(0.49)  LDD2115  [3]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C249(0.60); C139(1.11)  LDD2116  [3]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C249(0.73)  LDD2118  [3]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C249(2.05)  LDD2119  [3]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C139(0.67)  LDD2120  [3]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C249(0.84); C139(1.21)  LDD2122  [3]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C249(1.28); C139(0.81)  LDD2123  [3]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C249(0.63)  LDD2124  [3]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C249(1.04); C139(1.05)  LDD2125  [3]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C249(0.72)  LDD2126  [3]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C249(1.22); C139(0.82)  LDD2127  [3]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C139(0.96)  LDD2128  [3]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C249(1.92); C139(0.93)  LDD2129  [3]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C139(0.69)  LDD2133  [3]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C249(0.49); C139(0.74)  LDD2134  [3]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C249(2.22); C139(1.00)  LDD2135  [3]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C139(1.01)  LDD2136  [3]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C249(1.39); C139(0.94)  LDD2137  [3]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C139(1.08)  LDD1700  [3]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C249(1.57); C139(0.66)  LDD2140  [3]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C139(0.76)  LDD2141  [3]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C249(2.05)  LDD2144  [3]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C249(1.42); C139(0.82)  LDD2146  [3]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C249(0.74); C139(1.21)  LDD2147  [3]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C249(0.46); C139(0.66)  LDD2148  [3]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C249(0.65)  LDD2149  [3]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C139(0.43)  LDD2150  [3]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C249(0.60)  LDD2151  [3]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C249(4.36); C139(2.08)  LDD2153  [3]
 LDCM0131  RA190 MM1.R C28(1.25); C70(1.05)  LDD0304  [22]
 LDCM0021  THZ1 HCT 116 C28(1.17)  LDD2173  [6]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Inositol monophosphatase 2 (IMPA2) Inositol monophosphatase superfamily O14732
Dual specificity protein phosphatase 23 (DUSP23) Protein-tyrosine phosphatase family Q9BVJ7
NEDD8-activating enzyme E1 catalytic subunit (UBA3) Ubiquitin-activating E1 family Q8TBC4
NEDD8-activating enzyme E1 regulatory subunit (NAE1) Ubiquitin-activating E1 family Q13564
NEDD8-conjugating enzyme Ubc12 (UBE2M) Ubiquitin-conjugating enzyme family P61081
Transporter and channel
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Apolipoprotein E (APOE) Apolipoprotein A1/A4/E family P02649
Amyloid-beta precursor protein (APP) APP family P05067
Other
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Copine-2 (CPNE2) Copine family Q96FN4
UV excision repair protein RAD23 homolog B (RAD23B) RAD23 family P54727

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
2 A 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
3 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
4 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
5 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
6 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.
7 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.
8 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
9 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
10 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
11 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
12 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.
13 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.
14 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.
15 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
16 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
17 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.
18 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.
19 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
20 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
21 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.
22 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.