Details of the Target

General Information of Target

Target ID LDTP12138
Target Name E3 ubiquitin-protein ligase SMURF2 (SMURF2)
Gene Name SMURF2
Gene ID 64750
Synonyms
E3 ubiquitin-protein ligase SMURF2; hSMURF2; EC 2.3.2.26; HECT-type E3 ubiquitin transferase SMURF2; SMAD ubiquitination regulatory factor 2; SMAD-specific E3 ubiquitin-protein ligase 2
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MAADLNLEWISLPRSWTYGITRGGRVFFINEEAKSTTWLHPVTGEAVVTGHRRQSTDLPT
GWEEAYTFEGARYYINHNERKVTCKHPVTGQPSQDNCIFVVNEQTVATMTSEEKKERPIS
MINEASNYNVTSDYAVHPMSPVGRTSRASKKVHNFGKRSNSIKRNPNAPVVRRGWLYKQD
STGMKLWKKRWFVLSDLCLFYYRDEKEEGILGSILLPSFQIALLTSEDHINRKYAFKAAH
PNMRTYYFCTDTGKEMELWMKAMLDAALVQTEPVKRVDKITSENAPTKETNNIPNHRVLI
KPEIQNNQKNKEMSKIEEKKALEAEKYGFQKDGQDRPLTKINSVKLNSLPSEYESGSACP
AQTVHYRPINLSSSENKIVNVSLADLRGGNRPNTGPLYTEADRVIQRTNSMQQLEQWIKI
QKGRGHEEETRGVISYQTLPRNMPSHRAQIMARYPEGYRTLPRNSKTRPESICSVTPSTH
DKTLGPGAEEKRRSMRDDTMWQLYEWQQRQFYNKQSTLPRHSTLSSPKTMVNISDQTMHS
IPTSPSHGSIAAYQGYSPQRTYRSEVSSPIQRGDVTIDRRHRAHHPKHVYVPDRRSVPAG
LTLQSVSPQSLQGKTLSQDEGRGTLYKYRPEEVDIDAKLSRLCEQDKVVHALEEKLQQLH
KEKYTLEQALLSASQEIEMHADNPAAIQTVVLQRDDLQNGLLSTCRELSRATAELERAWR
EYDKLEYDVTVTRNQMQEQLDHLGEVQTESAGIQRAQIQKELWRIQDVMEGLSKHKQQRG
TTEIGMIGSKPFSTVKYKNEGPDYRLYKSEPELTTVAEVDESNGEEKSEPVSEIETSVVK
GSHFPVGVVPPRAKSPTPESSTIASYVTLRKTKKMMDLRTERPRSAVEQLCLAESTRPRM
TVEEQMERIRRHQQACLREKKKGLNVIGASDQSPLQSPSNLRDNPFRTTQTRRRDDKELD
TAIRENDVKPDHETPATEIVQLKETEPQNVDFSKELKKTENISYEMLFEPEPNGVNSVEM
MDKERNKDKMPEDVTFSPQDETQTANHKPEEHPEENTKNSVDEQEETVISYESTPEVSRG
NQTMAVKSLSPSPESSASPVPSTQPQLTEGSHFMCV
Target Bioclass
Enzyme
Subcellular location
Nucleus
Function
E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates. Interacts with SMAD7 to trigger SMAD7-mediated transforming growth factor beta/TGF-beta receptor ubiquitin-dependent degradation, thereby down-regulating TGF-beta signaling. In addition, interaction with SMAD7 activates autocatalytic degradation, which is prevented by interaction with AIMP1. Also forms a stable complex with TGF-beta receptor-mediated phosphorylated SMAD1, SMAD2 and SMAD3, and targets SMAD1 and SMAD2 for ubiquitination and proteasome-mediated degradation. SMAD2 may recruit substrates, such as SNON, for ubiquitin-dependent degradation. Negatively regulates TGFB1-induced epithelial-mesenchymal transition and myofibroblast differentiation.; (Microbial infection) In case of filoviruses Ebola/EBOV and Marburg/MARV infection, the complex formed by viral matrix protein VP40 and SMURF2 facilitates virus budding.
Uniprot ID
Q9HAU4
Ensemble ID
ENST00000262435.14
HGNC ID
HGNC:16809
ChEMBL ID
CHEMBL4523460

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 14 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  		K108(0.30); K644(4.23)  LDD0277  [2]
BTD
 Probe Info  		C716(0.67)  LDD2089  [3]
DBIA
 Probe Info  		C356(1.06); C362(1.06)  LDD0078  [4]
ATP probe
 Probe Info  		N.A.  LDD0199  [5]
NAIA_4
 Probe Info  		C151(0.00); C293(0.00); C393(0.00); C706(0.00)  LDD2226  [6]
NAIA_5
 Probe Info  		N.A.  LDD2224  [6]
WYneN
 Probe Info  		N.A.  LDD0021  [7]
aHNE
 Probe Info  		N.A.  LDD0001  [7]
IA-alkyne
 Probe Info  		N.A.  LDD0151  [8]
IPM
 Probe Info  		C151(0.00); C706(0.00); C716(0.00)  LDD0147  [9]
Methacrolein
 Probe Info  		N.A.  LDD0218  [10]
W1
 Probe Info  		N.A.  LDD0236  [11]
AOyne
 Probe Info  		11.10  LDD0443  [12]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C47(1.06)  LDD2117  [3]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C716(1.35)  LDD2152  [3]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C716(0.51)  LDD2132  [3]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C716(0.67)  LDD2131  [3]
 LDCM0214  AC1 HCT 116 C151(0.97); C356(1.03); C362(1.03); C393(0.78)  LDD0531  [4]
 LDCM0215  AC10 HCT 116 C151(0.88); C204(1.20); C220(1.20); C293(1.33)  LDD0532  [4]
 LDCM0216  AC100 HCT 116 C151(0.96); C204(1.40); C220(1.40); C293(1.05)  LDD0533  [4]
 LDCM0217  AC101 HCT 116 C151(1.14); C204(1.06); C220(1.06); C293(0.98)  LDD0534  [4]
 LDCM0218  AC102 HCT 116 C151(0.63); C204(0.90); C220(0.90); C293(0.91)  LDD0535  [4]
 LDCM0219  AC103 HCT 116 C151(0.84); C204(1.11); C220(1.11); C293(1.16)  LDD0536  [4]
 LDCM0220  AC104 HCT 116 C151(0.76); C204(0.99); C220(0.99); C293(0.88)  LDD0537  [4]
 LDCM0221  AC105 HCT 116 C151(0.79); C204(1.02); C220(1.02); C293(0.90)  LDD0538  [4]
 LDCM0222  AC106 HCT 116 C151(1.06); C204(1.52); C220(1.52); C293(1.04)  LDD0539  [4]
 LDCM0223  AC107 HCT 116 C151(0.74); C204(1.22); C220(1.22); C293(0.87)  LDD0540  [4]
 LDCM0224  AC108 HCT 116 C151(0.76); C204(1.47); C220(1.47); C293(0.93)  LDD0541  [4]
 LDCM0225  AC109 HCT 116 C151(0.85); C204(0.96); C220(0.96); C293(0.96)  LDD0542  [4]
 LDCM0226  AC11 HCT 116 C151(0.82); C204(1.16); C220(1.16); C293(1.28)  LDD0543  [4]
 LDCM0227  AC110 HCT 116 C151(0.88); C204(1.31); C220(1.31); C293(0.98)  LDD0544  [4]
 LDCM0228  AC111 HCT 116 C151(0.84); C204(1.34); C220(1.34); C293(0.88)  LDD0545  [4]
 LDCM0229  AC112 HCT 116 C151(1.16); C204(1.31); C220(1.31); C293(0.85)  LDD0546  [4]
 LDCM0230  AC113 HCT 116 C151(1.11); C204(0.85); C220(0.85); C356(0.93)  LDD0547  [4]
 LDCM0231  AC114 HCT 116 C151(1.17); C204(0.91); C220(1.02); C356(0.97)  LDD0548  [4]
 LDCM0232  AC115 HCT 116 C151(1.14); C204(0.98); C220(0.91); C356(1.13)  LDD0549  [4]
 LDCM0233  AC116 HCT 116 C151(1.04); C204(1.02); C220(1.03); C356(1.06)  LDD0550  [4]
 LDCM0234  AC117 HCT 116 C151(1.14); C204(1.05); C220(1.06); C356(1.00)  LDD0551  [4]
 LDCM0235  AC118 HCT 116 C151(1.04); C204(1.14); C220(1.11); C356(0.90)  LDD0552  [4]
 LDCM0236  AC119 HCT 116 C151(1.18); C204(1.09); C220(1.65); C356(0.93)  LDD0553  [4]
 LDCM0237  AC12 HCT 116 C151(1.06); C204(0.91); C220(0.91); C293(1.15)  LDD0554  [4]
 LDCM0238  AC120 HCT 116 C151(1.15); C204(1.09); C220(1.25); C356(1.16)  LDD0555  [4]
 LDCM0239  AC121 HCT 116 C151(0.98); C204(0.91); C220(1.16); C356(0.98)  LDD0556  [4]
 LDCM0240  AC122 HCT 116 C151(1.05); C204(0.74); C220(0.82); C356(0.95)  LDD0557  [4]
 LDCM0241  AC123 HCT 116 C151(1.12); C204(0.82); C220(1.01); C356(0.83)  LDD0558  [4]
 LDCM0242  AC124 HCT 116 C151(1.13); C204(0.82); C220(0.96); C356(1.11)  LDD0559  [4]
 LDCM0243  AC125 HCT 116 C151(1.02); C204(0.88); C220(1.09); C356(1.09)  LDD0560  [4]
 LDCM0244  AC126 HCT 116 C151(1.01); C204(0.77); C220(0.98); C356(1.16)  LDD0561  [4]
 LDCM0245  AC127 HCT 116 C151(0.96); C204(0.88); C220(0.99); C356(1.10)  LDD0562  [4]
 LDCM0246  AC128 HCT 116 C151(1.58); C204(0.84); C220(0.84); C356(0.88)  LDD0563  [4]
 LDCM0247  AC129 HCT 116 C151(0.90); C204(0.79); C220(0.79); C356(1.04)  LDD0564  [4]
 LDCM0249  AC130 HCT 116 C151(1.45); C204(0.79); C220(0.79); C356(0.98)  LDD0566  [4]
 LDCM0250  AC131 HCT 116 C151(1.14); C204(0.78); C220(0.78); C356(1.03)  LDD0567  [4]
 LDCM0251  AC132 HCT 116 C151(1.00); C204(0.82); C220(0.82); C356(0.95)  LDD0568  [4]
 LDCM0252  AC133 HCT 116 C151(1.13); C204(0.78); C220(0.78); C356(0.96)  LDD0569  [4]
 LDCM0253  AC134 HCT 116 C151(1.22); C204(0.73); C220(0.73); C356(1.05)  LDD0570  [4]
 LDCM0254  AC135 HCT 116 C151(1.41); C204(0.81); C220(0.81); C356(0.97)  LDD0571  [4]
 LDCM0255  AC136 HCT 116 C151(1.14); C204(0.79); C220(0.79); C356(0.87)  LDD0572  [4]
 LDCM0256  AC137 HCT 116 C151(1.01); C204(0.88); C220(0.88); C356(0.94)  LDD0573  [4]
 LDCM0257  AC138 HCT 116 C151(1.09); C204(0.89); C220(0.89); C356(1.02)  LDD0574  [4]
 LDCM0258  AC139 HCT 116 C151(1.31); C204(0.93); C220(0.93); C356(0.94)  LDD0575  [4]
 LDCM0259  AC14 HCT 116 C151(0.83); C204(1.03); C220(1.03); C293(1.33)  LDD0576  [4]
 LDCM0260  AC140 HCT 116 C151(1.26); C204(0.89); C220(0.89); C356(0.98)  LDD0577  [4]
 LDCM0261  AC141 HCT 116 C151(1.21); C204(1.05); C220(1.05); C356(1.02)  LDD0578  [4]
 LDCM0262  AC142 HCT 116 C151(0.98); C204(0.82); C220(0.82); C356(0.87)  LDD0579  [4]
 LDCM0263  AC143 HCT 116 C393(0.74); C706(1.00); C356(1.05); C362(1.05)  LDD0580  [4]
 LDCM0264  AC144 HCT 116 C393(0.72); C151(0.84); C706(0.90); C220(0.96)  LDD0581  [4]
 LDCM0265  AC145 HCT 116 C220(0.85); C393(0.88); C151(0.91); C204(0.99)  LDD0582  [4]
 LDCM0266  AC146 HCT 116 C393(0.56); C151(0.79); C220(0.93); C706(1.03)  LDD0583  [4]
 LDCM0267  AC147 HCT 116 C393(0.86); C151(0.96); C220(1.00); C706(1.02)  LDD0584  [4]
 LDCM0268  AC148 HCT 116 C393(0.49); C220(0.74); C151(0.85); C706(0.97)  LDD0585  [4]
 LDCM0269  AC149 HCT 116 C393(0.51); C151(0.88); C220(0.90); C706(1.13)  LDD0586  [4]
 LDCM0270  AC15 HCT 116 C393(0.77); C151(0.87); C293(1.14); C706(1.16)  LDD0587  [4]
 LDCM0271  AC150 HCT 116 C151(0.77); C393(0.82); C220(0.97); C204(1.10)  LDD0588  [4]
 LDCM0272  AC151 HCT 116 C393(0.75); C220(0.83); C362(1.04); C204(1.06)  LDD0589  [4]
 LDCM0273  AC152 HCT 116 C393(0.56); C220(0.72); C151(0.89); C706(1.03)  LDD0590  [4]
 LDCM0274  AC153 HCT 116 C393(0.46); C220(0.62); C151(0.86); C706(0.97)  LDD0591  [4]
 LDCM0621  AC154 HCT 116 C151(0.91); C204(1.24); C220(0.92); C356(1.14)  LDD2158  [4]
 LDCM0622  AC155 HCT 116 C151(0.87); C204(1.30); C220(0.71); C356(1.25)  LDD2159  [4]
 LDCM0623  AC156 HCT 116 C151(0.86); C204(1.23); C220(0.91); C356(1.13)  LDD2160  [4]
 LDCM0624  AC157 HCT 116 C151(0.83); C204(1.24); C220(0.78); C356(1.44)  LDD2161  [4]
 LDCM0276  AC17 HCT 116 C204(0.79); C220(0.79); C706(0.80); C293(1.00)  LDD0593  [4]
 LDCM0277  AC18 HCT 116 C706(0.77); C204(0.87); C220(0.87); C393(0.96)  LDD0594  [4]
 LDCM0278  AC19 HCT 116 C204(0.74); C220(0.74); C706(0.86); C393(0.94)  LDD0595  [4]
 LDCM0279  AC2 HCT 116 C393(0.83); C151(1.08); C356(1.11); C362(1.11)  LDD0596  [4]
 LDCM0280  AC20 HCT 116 C204(0.77); C220(0.77); C293(0.87); C706(0.90)  LDD0597  [4]
 LDCM0281  AC21 HCT 116 C204(0.74); C220(0.74); C706(0.78); C293(0.92)  LDD0598  [4]
 LDCM0282  AC22 HCT 116 C706(0.81); C204(0.86); C220(0.86); C293(0.91)  LDD0599  [4]
 LDCM0283  AC23 HCT 116 C204(0.71); C220(0.71); C293(0.82); C706(0.87)  LDD0600  [4]
 LDCM0284  AC24 HCT 116 C204(0.62); C220(0.62); C706(0.87); C743(1.00)  LDD0601  [4]
 LDCM0285  AC25 HCT 116 C393(0.85); C706(0.88); C356(1.07); C362(1.07)  LDD0602  [4]
 LDCM0286  AC26 HCT 116 C393(0.75); C706(1.03); C356(1.10); C362(1.10)  LDD0603  [4]
 LDCM0287  AC27 HCT 116 C393(0.74); C356(1.04); C362(1.04); C706(1.06)  LDD0604  [4]
 LDCM0288  AC28 HCT 116 C393(0.76); C706(1.09); C356(1.09); C362(1.09)  LDD0605  [4]
 LDCM0289  AC29 HCT 116 C393(0.64); C743(1.16); C356(1.16); C362(1.16)  LDD0606  [4]
 LDCM0290  AC3 HCT 116 C393(0.87); C151(0.96); C356(1.03); C362(1.03)  LDD0607  [4]
 LDCM0291  AC30 HCT 116 C393(0.75); C356(1.06); C362(1.06); C743(1.32)  LDD0608  [4]
 LDCM0292  AC31 HCT 116 C393(0.73); C356(0.97); C362(0.97); C706(1.07)  LDD0609  [4]
 LDCM0293  AC32 HCT 116 C393(0.55); C151(1.03); C356(1.08); C362(1.08)  LDD0610  [4]
 LDCM0294  AC33 HCT 116 C393(0.63); C706(1.02); C356(1.19); C362(1.19)  LDD0611  [4]
 LDCM0295  AC34 HCT 116 C393(0.56); C356(1.07); C362(1.07); C706(1.10)  LDD0612  [4]
 LDCM0296  AC35 HCT 116 C706(0.94); C356(0.97); C362(0.97); C151(1.12)  LDD0613  [4]
 LDCM0297  AC36 HCT 116 C743(0.71); C356(0.98); C362(0.98); C706(1.07)  LDD0614  [4]
 LDCM0298  AC37 HCT 116 C743(0.95); C706(1.06); C356(1.06); C362(1.06)  LDD0615  [4]
 LDCM0299  AC38 HCT 116 C743(0.92); C706(0.97); C356(1.00); C362(1.00)  LDD0616  [4]
 LDCM0300  AC39 HCT 116 C356(0.97); C362(0.97); C706(0.99); C393(1.05)  LDD0617  [4]
 LDCM0301  AC4 HCT 116 C151(0.88); C393(0.94); C356(1.08); C362(1.08)  LDD0618  [4]
 LDCM0302  AC40 HCT 116 C393(0.90); C356(1.07); C362(1.07); C706(1.11)  LDD0619  [4]
 LDCM0303  AC41 HCT 116 C393(0.84); C356(0.98); C362(0.98); C743(1.14)  LDD0620  [4]
 LDCM0304  AC42 HCT 116 C393(0.84); C356(1.01); C362(1.01); C706(1.16)  LDD0621  [4]
 LDCM0305  AC43 HCT 116 C393(0.85); C706(1.05); C356(1.11); C362(1.11)  LDD0622  [4]
 LDCM0306  AC44 HCT 116 C393(0.86); C706(1.00); C356(1.04); C362(1.04)  LDD0623  [4]
 LDCM0307  AC45 HCT 116 C393(0.75); C356(1.00); C362(1.00); C706(1.32)  LDD0624  [4]
 LDCM0308  AC46 HCT 116 C393(0.82); C204(1.02); C220(1.02); C293(1.03)  LDD0625  [4]
 LDCM0309  AC47 HCT 116 C293(0.80); C151(0.99); C393(1.02); C204(1.03)  LDD0626  [4]
 LDCM0310  AC48 HCT 116 C393(0.68); C204(0.80); C220(0.80); C293(0.85)  LDD0627  [4]
 LDCM0311  AC49 HCT 116 C393(0.59); C293(0.90); C356(0.93); C362(0.93)  LDD0628  [4]
 LDCM0312  AC5 HCT 116 C151(0.87); C393(0.88); C356(1.01); C362(1.01)  LDD0629  [4]
 LDCM0313  AC50 HCT 116 C393(0.71); C204(0.90); C220(0.90); C151(0.99)  LDD0630  [4]
 LDCM0314  AC51 HCT 116 C151(0.90); C293(0.92); C204(0.95); C220(0.95)  LDD0631  [4]
 LDCM0315  AC52 HCT 116 C204(0.95); C220(0.95); C151(1.00); C356(1.03)  LDD0632  [4]
 LDCM0316  AC53 HCT 116 C204(0.76); C220(0.76); C393(0.77); C293(0.89)  LDD0633  [4]
 LDCM0317  AC54 HCT 116 C204(0.60); C220(0.60); C151(0.84); C293(0.91)  LDD0634  [4]
 LDCM0318  AC55 HCT 116 C393(0.75); C204(1.07); C220(1.07); C293(1.11)  LDD0635  [4]
 LDCM0319  AC56 HCT 116 C393(0.71); C204(0.72); C220(0.72); C293(0.96)  LDD0636  [4]
 LDCM0320  AC57 HCT 116 C393(0.79); C706(0.82); C356(1.03); C362(1.03)  LDD0637  [4]
 LDCM0321  AC58 HCT 116 C393(0.80); C706(0.95); C356(0.98); C362(0.98)  LDD0638  [4]
 LDCM0322  AC59 HCT 116 C393(0.73); C706(0.96); C356(1.03); C362(1.03)  LDD0639  [4]
 LDCM0323  AC6 HCT 116 C393(0.71); C204(0.85); C220(0.85); C151(0.92)  LDD0640  [4]
 LDCM0324  AC60 HCT 116 C393(0.60); C356(0.87); C362(0.87); C706(1.05)  LDD0641  [4]
 LDCM0325  AC61 HCT 116 C393(0.68); C706(0.75); C356(0.87); C362(0.87)  LDD0642  [4]
 LDCM0326  AC62 HCT 116 C393(0.67); C356(1.00); C362(1.00); C706(1.01)  LDD0643  [4]
 LDCM0327  AC63 HCT 116 C393(0.71); C356(0.97); C362(0.97); C706(1.14)  LDD0644  [4]
 LDCM0328  AC64 HCT 116 C393(0.66); C356(0.93); C362(0.93); C706(1.03)  LDD0645  [4]
 LDCM0329  AC65 HCT 116 C393(0.64); C706(0.95); C356(1.10); C362(1.10)  LDD0646  [4]
 LDCM0330  AC66 HCT 116 C393(0.81); C706(1.01); C356(1.05); C362(1.05)  LDD0647  [4]
 LDCM0331  AC67 HCT 116 C393(0.56); C706(0.98); C356(1.11); C362(1.11)  LDD0648  [4]
 LDCM0332  AC68 HCT 116 C393(0.74); C356(0.91); C362(0.91); C151(0.94)  LDD0649  [4]
 LDCM0333  AC69 HCT 116 C151(0.79); C393(0.81); C356(0.87); C362(0.87)  LDD0650  [4]
 LDCM0334  AC7 HCT 116 C393(0.83); C204(0.86); C220(0.86); C151(0.86)  LDD0651  [4]
 LDCM0335  AC70 HCT 116 C393(0.63); C356(0.83); C362(0.83); C151(1.15)  LDD0652  [4]
 LDCM0336  AC71 HCT 116 C356(0.79); C362(0.79); C151(0.85); C393(1.01)  LDD0653  [4]
 LDCM0337  AC72 HCT 116 C393(0.81); C356(0.95); C362(0.95); C151(1.06)  LDD0654  [4]
 LDCM0338  AC73 HCT 116 C393(0.64); C356(0.89); C362(0.89); C151(1.23)  LDD0655  [4]
 LDCM0339  AC74 HCT 116 C393(0.77); C356(0.89); C362(0.89); C151(0.99)  LDD0656  [4]
 LDCM0340  AC75 HCT 116 C393(0.66); C356(1.07); C362(1.07); C151(1.24)  LDD0657  [4]
 LDCM0341  AC76 HCT 116 C393(0.76); C356(0.88); C362(0.88); C151(0.89)  LDD0658  [4]
 LDCM0342  AC77 HCT 116 C393(0.67); C151(0.79); C356(1.05); C362(1.05)  LDD0659  [4]
 LDCM0343  AC78 HCT 116 C393(0.73); C151(0.74); C356(0.94); C362(0.94)  LDD0660  [4]
 LDCM0344  AC79 HCT 116 C356(0.87); C362(0.87); C393(0.94); C151(1.12)  LDD0661  [4]
 LDCM0345  AC8 HCT 116 C393(0.73); C293(0.94); C151(0.96); C204(0.98)  LDD0662  [4]
 LDCM0346  AC80 HCT 116 C393(0.88); C356(0.96); C362(0.96); C151(1.05)  LDD0663  [4]
 LDCM0347  AC81 HCT 116 C356(0.97); C362(0.97); C151(0.97); C393(0.99)  LDD0664  [4]
 LDCM0348  AC82 HCT 116 C393(0.69); C356(0.98); C362(0.98); C151(1.20)  LDD0665  [4]
 LDCM0349  AC83 HCT 116 C393(0.72); C151(1.04); C356(1.04); C362(1.04)  LDD0666  [4]
 LDCM0350  AC84 HCT 116 C393(0.73); C151(0.96); C204(1.07); C220(1.07)  LDD0667  [4]
 LDCM0351  AC85 HCT 116 C393(0.78); C151(1.05); C356(1.09); C362(1.09)  LDD0668  [4]
 LDCM0352  AC86 HCT 116 C393(0.90); C151(0.93); C743(1.13); C706(1.29)  LDD0669  [4]
 LDCM0353  AC87 HCT 116 C393(0.71); C743(0.97); C151(0.98); C356(1.08)  LDD0670  [4]
 LDCM0354  AC88 HCT 116 C393(0.90); C151(1.01); C743(1.10); C356(1.15)  LDD0671  [4]
 LDCM0355  AC89 HCT 116 C393(0.74); C151(0.99); C706(1.16); C356(1.23)  LDD0672  [4]
 LDCM0357  AC90 HCT 116 C151(0.97); C743(0.97); C356(0.98); C362(0.98)  LDD0674  [4]
 LDCM0358  AC91 HCT 116 C393(0.71); C151(1.01); C356(1.19); C362(1.19)  LDD0675  [4]
 LDCM0359  AC92 HCT 116 C393(0.70); C151(0.91); C356(1.54); C362(1.54)  LDD0676  [4]
 LDCM0360  AC93 HCT 116 C393(0.79); C356(1.16); C362(1.16); C706(1.22)  LDD0677  [4]
 LDCM0361  AC94 HCT 116 C706(1.03); C151(1.03); C743(1.10); C356(1.11)  LDD0678  [4]
 LDCM0362  AC95 HCT 116 C393(0.61); C151(0.99); C356(1.08); C362(1.08)  LDD0679  [4]
 LDCM0363  AC96 HCT 116 C393(0.96); C706(1.08); C356(1.09); C362(1.09)  LDD0680  [4]
 LDCM0364  AC97 HCT 116 C393(0.59); C151(1.15); C743(1.26); C204(1.35)  LDD0681  [4]
 LDCM0365  AC98 HCT 116 C393(0.30); C356(0.97); C362(0.97); C151(1.08)  LDD0682  [4]
 LDCM0366  AC99 HCT 116 C393(0.57); C151(0.82); C356(0.88); C362(0.88)  LDD0683  [4]
 LDCM0545  Acetamide MDA-MB-231 C716(0.48)  LDD2138  [3]
 LDCM0248  AKOS034007472 HCT 116 C151(0.89); C204(1.16); C220(1.16); C293(1.23)  LDD0565  [4]
 LDCM0356  AKOS034007680 HCT 116 C393(0.79); C151(0.82); C706(1.01); C204(1.05)  LDD0673  [4]
 LDCM0275  AKOS034007705 HCT 116 C393(0.54); C204(0.90); C220(0.90); C151(0.93)  LDD0592  [4]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0405  [1]
 LDCM0020  ARS-1620 HCC44 C356(1.06); C362(1.06)  LDD0078  [4]
 LDCM0632  CL-Sc Hep-G2 C706(20.00)  LDD2227  [6]
 LDCM0367  CL1 HCT 116 C743(0.85); C151(1.00); C356(1.04); C362(1.04)  LDD0684  [4]
 LDCM0368  CL10 HCT 116 C393(0.69); C706(1.16); C356(1.18); C362(1.18)  LDD0685  [4]
 LDCM0369  CL100 HCT 116 C393(0.79); C151(1.00); C356(1.12); C362(1.12)  LDD0686  [4]
 LDCM0370  CL101 HCT 116 C393(0.70); C151(0.83); C204(0.89); C220(0.89)  LDD0687  [4]
 LDCM0371  CL102 HCT 116 C151(0.77); C393(0.85); C204(0.98); C220(0.98)  LDD0688  [4]
 LDCM0372  CL103 HCT 116 C151(0.76); C393(0.86); C706(1.05); C743(1.09)  LDD0689  [4]
 LDCM0373  CL104 HCT 116 C393(0.83); C204(0.83); C220(0.83); C151(0.96)  LDD0690  [4]
 LDCM0374  CL105 HCT 116 C204(0.76); C220(0.76); C293(0.88); C706(0.89)  LDD0691  [4]
 LDCM0375  CL106 HCT 116 C706(0.70); C293(0.78); C393(0.91); C204(0.93)  LDD0692  [4]
 LDCM0376  CL107 HCT 116 C706(0.75); C204(0.82); C220(0.82); C293(0.89)  LDD0693  [4]
 LDCM0377  CL108 HCT 116 C706(0.83); C393(0.91); C293(0.97); C204(1.06)  LDD0694  [4]
 LDCM0378  CL109 HCT 116 C393(0.87); C706(0.96); C204(0.98); C220(0.98)  LDD0695  [4]
 LDCM0379  CL11 HCT 116 C393(0.71); C356(1.10); C362(1.10); C204(1.41)  LDD0696  [4]
 LDCM0380  CL110 HCT 116 C204(0.87); C220(0.87); C393(0.87); C293(0.92)  LDD0697  [4]
 LDCM0381  CL111 HCT 116 C204(0.79); C220(0.79); C393(0.95); C706(0.96)  LDD0698  [4]
 LDCM0382  CL112 HCT 116 C393(0.85); C356(1.06); C362(1.06); C743(1.07)  LDD0699  [4]
 LDCM0383  CL113 HCT 116 C393(0.66); C356(1.10); C362(1.10); C151(1.20)  LDD0700  [4]
 LDCM0384  CL114 HCT 116 C393(0.67); C356(1.06); C362(1.06); C743(1.14)  LDD0701  [4]
 LDCM0385  CL115 HCT 116 C393(0.72); C356(1.05); C362(1.05); C743(1.34)  LDD0702  [4]
 LDCM0386  CL116 HCT 116 C393(0.71); C356(0.89); C362(0.89); C706(1.08)  LDD0703  [4]
 LDCM0387  CL117 HCT 116 C393(0.68); C356(1.07); C362(1.07); C706(1.09)  LDD0704  [4]
 LDCM0388  CL118 HCT 116 C393(0.93); C356(1.02); C362(1.02); C706(1.18)  LDD0705  [4]
 LDCM0389  CL119 HCT 116 C393(0.87); C356(1.03); C362(1.03); C706(1.09)  LDD0706  [4]
 LDCM0390  CL12 HCT 116 C393(0.64); C356(1.06); C362(1.06); C706(1.42)  LDD0707  [4]
 LDCM0391  CL120 HCT 116 C743(0.87); C356(0.94); C362(0.94); C393(1.03)  LDD0708  [4]
 LDCM0392  CL121 HCT 116 C293(0.75); C393(0.83); C204(0.90); C220(0.90)  LDD0709  [4]
 LDCM0393  CL122 HCT 116 C204(0.80); C220(0.80); C393(0.80); C293(0.82)  LDD0710  [4]
 LDCM0394  CL123 HCT 116 C293(0.75); C393(0.76); C356(1.35); C362(1.35)  LDD0711  [4]
 LDCM0395  CL124 HCT 116 C393(0.67); C356(0.95); C362(0.95); C293(1.04)  LDD0712  [4]
 LDCM0396  CL125 HCT 116 C393(0.75); C356(1.01); C362(1.01); C743(1.04)  LDD0713  [4]
 LDCM0397  CL126 HCT 116 C393(0.68); C356(0.83); C362(0.83); C151(1.01)  LDD0714  [4]
 LDCM0398  CL127 HCT 116 C393(0.70); C706(1.03); C151(1.05); C356(1.06)  LDD0715  [4]
 LDCM0399  CL128 HCT 116 C393(0.71); C706(0.82); C356(1.05); C362(1.05)  LDD0716  [4]
 LDCM0400  CL13 HCT 116 C204(0.74); C220(0.74); C393(0.76); C356(0.91)  LDD0717  [4]
 LDCM0401  CL14 HCT 116 C356(0.97); C362(0.97); C393(0.98); C204(1.03)  LDD0718  [4]
 LDCM0402  CL15 HCT 116 C393(0.74); C204(1.06); C220(1.06); C356(1.11)  LDD0719  [4]
 LDCM0403  CL16 HCT 116 C393(0.89); C204(0.98); C220(0.98); C356(1.01)  LDD0720  [4]
 LDCM0404  CL17 HCT 116 C393(0.85); C204(1.08); C220(1.08); C356(1.14)  LDD0721  [4]
 LDCM0405  CL18 HCT 116 C393(0.54); C706(0.91); C356(0.96); C362(0.96)  LDD0722  [4]
 LDCM0406  CL19 HCT 116 C393(0.73); C706(0.92); C204(0.97); C220(0.97)  LDD0723  [4]
 LDCM0407  CL2 HCT 116 C743(0.90); C356(0.98); C362(0.98); C151(1.01)  LDD0724  [4]
 LDCM0408  CL20 HCT 116 C393(0.75); C706(1.02); C356(1.21); C362(1.21)  LDD0725  [4]
 LDCM0409  CL21 HCT 116 C393(0.67); C204(1.12); C220(1.12); C356(1.27)  LDD0726  [4]
 LDCM0410  CL22 HCT 116 C393(0.62); C204(0.81); C220(0.81); C706(1.17)  LDD0727  [4]
 LDCM0411  CL23 HCT 116 C204(0.68); C220(0.68); C393(0.70); C706(1.04)  LDD0728  [4]
 LDCM0412  CL24 HCT 116 C151(1.45); C204(1.07); C220(1.07); C356(1.10)  LDD0729  [4]
 LDCM0413  CL25 HCT 116 C151(1.43); C204(0.97); C220(0.97); C356(1.12)  LDD0730  [4]
 LDCM0414  CL26 HCT 116 C151(1.17); C204(0.95); C220(0.95); C356(1.15)  LDD0731  [4]
 LDCM0415  CL27 HCT 116 C151(1.23); C204(1.04); C220(1.04); C356(1.17)  LDD0732  [4]
 LDCM0416  CL28 HCT 116 C151(1.27); C204(1.13); C220(1.13); C356(0.99)  LDD0733  [4]
 LDCM0417  CL29 HCT 116 C151(1.30); C204(0.92); C220(0.92); C356(1.15)  LDD0734  [4]
 LDCM0418  CL3 HCT 116 C151(1.06); C204(1.07); C220(1.07); C356(1.04)  LDD0735  [4]
 LDCM0419  CL30 HCT 116 C151(1.09); C204(0.84); C220(0.84); C356(1.00)  LDD0736  [4]
 LDCM0420  CL31 HCT 116 C151(1.15); C204(0.77); C220(0.77); C293(0.90)  LDD0737  [4]
 LDCM0421  CL32 HCT 116 C151(1.21); C204(1.08); C220(1.08); C293(1.04)  LDD0738  [4]
 LDCM0422  CL33 HCT 116 C151(1.20); C204(0.87); C220(0.87); C293(1.14)  LDD0739  [4]
 LDCM0423  CL34 HCT 116 C151(1.24); C204(0.93); C220(0.93); C293(1.19)  LDD0740  [4]
 LDCM0424  CL35 HCT 116 C151(1.39); C204(1.05); C220(1.05); C293(1.16)  LDD0741  [4]
 LDCM0425  CL36 HCT 116 C151(1.36); C204(1.12); C220(1.12); C293(1.07)  LDD0742  [4]
 LDCM0426  CL37 HCT 116 C151(1.59); C204(0.84); C220(0.84); C293(1.09)  LDD0743  [4]
 LDCM0428  CL39 HCT 116 C151(1.54); C204(0.91); C220(0.91); C293(1.08)  LDD0745  [4]
 LDCM0429  CL4 HCT 116 C151(0.90); C204(0.85); C220(0.85); C356(1.14)  LDD0746  [4]
 LDCM0430  CL40 HCT 116 C151(1.38); C204(1.05); C220(1.05); C293(1.20)  LDD0747  [4]
 LDCM0431  CL41 HCT 116 C151(1.18); C204(1.27); C220(1.27); C293(1.03)  LDD0748  [4]
 LDCM0432  CL42 HCT 116 C151(1.95); C204(0.74); C220(0.74); C293(1.12)  LDD0749  [4]
 LDCM0433  CL43 HCT 116 C151(1.37); C204(1.03); C220(1.03); C293(1.06)  LDD0750  [4]
 LDCM0434  CL44 HCT 116 C151(1.28); C204(1.12); C220(1.12); C293(1.13)  LDD0751  [4]
 LDCM0435  CL45 HCT 116 C151(1.37); C204(1.00); C220(1.00); C293(1.22)  LDD0752  [4]
 LDCM0436  CL46 HCT 116 C151(1.06); C204(1.38); C220(1.38); C293(0.60)  LDD0753  [4]
 LDCM0437  CL47 HCT 116 C151(0.99); C204(1.10); C220(1.10); C293(0.71)  LDD0754  [4]
 LDCM0438  CL48 HCT 116 C151(1.01); C204(0.98); C220(0.98); C293(0.63)  LDD0755  [4]
 LDCM0439  CL49 HCT 116 C151(0.97); C204(1.23); C220(1.23); C293(0.70)  LDD0756  [4]
 LDCM0440  CL5 HCT 116 C151(0.97); C204(1.08); C220(1.08); C356(0.97)  LDD0757  [4]
 LDCM0441  CL50 HCT 116 C151(1.01); C204(0.98); C220(0.98); C293(0.72)  LDD0758  [4]
 LDCM0442  CL51 HCT 116 C151(1.17); C204(1.18); C220(1.18); C293(0.79)  LDD0759  [4]
 LDCM0443  CL52 HCT 116 C151(1.05); C204(1.13); C220(1.13); C293(0.77)  LDD0760  [4]
 LDCM0444  CL53 HCT 116 C151(1.08); C204(0.82); C220(0.82); C293(0.79)  LDD0761  [4]
 LDCM0445  CL54 HCT 116 C151(1.00); C204(1.13); C220(1.13); C293(0.63)  LDD0762  [4]
 LDCM0446  CL55 HCT 116 C151(1.01); C204(0.94); C220(0.94); C293(0.61)  LDD0763  [4]
 LDCM0447  CL56 HCT 116 C151(1.02); C204(0.84); C220(0.84); C293(0.72)  LDD0764  [4]
 LDCM0448  CL57 HCT 116 C151(0.94); C204(1.00); C220(1.00); C293(0.73)  LDD0765  [4]
 LDCM0449  CL58 HCT 116 C151(0.98); C204(1.20); C220(1.20); C293(0.70)  LDD0766  [4]
 LDCM0450  CL59 HCT 116 C151(0.92); C204(1.18); C220(1.18); C293(0.77)  LDD0767  [4]
 LDCM0451  CL6 HCT 116 C151(1.23); C204(1.14); C220(1.14); C356(1.13)  LDD0768  [4]
 LDCM0452  CL60 HCT 116 C151(1.07); C204(1.04); C220(1.04); C293(0.70)  LDD0769  [4]
 LDCM0453  CL61 HCT 116 C151(0.92); C293(1.09); C356(0.91); C362(0.91)  LDD0770  [4]
 LDCM0454  CL62 HCT 116 C151(1.29); C293(1.10); C356(0.90); C362(0.90)  LDD0771  [4]
 LDCM0455  CL63 HCT 116 C151(0.92); C293(1.00); C356(0.98); C362(0.98)  LDD0772  [4]
 LDCM0456  CL64 HCT 116 C151(0.88); C293(1.27); C356(1.11); C362(1.11)  LDD0773  [4]
 LDCM0457  CL65 HCT 116 C151(0.85); C293(0.89); C356(0.88); C362(0.88)  LDD0774  [4]
 LDCM0458  CL66 HCT 116 C151(0.81); C293(1.54); C356(0.95); C362(0.95)  LDD0775  [4]
 LDCM0459  CL67 HCT 116 C151(0.78); C293(1.30); C356(0.87); C362(0.87)  LDD0776  [4]
 LDCM0460  CL68 HCT 116 C151(0.78); C293(2.71); C356(0.83); C362(0.83)  LDD0777  [4]
 LDCM0461  CL69 HCT 116 C151(0.87); C293(1.62); C356(0.97); C362(0.97)  LDD0778  [4]
 LDCM0462  CL7 HCT 116 C151(1.19); C204(0.92); C220(0.92); C356(1.08)  LDD0779  [4]
 LDCM0463  CL70 HCT 116 C151(0.79); C293(0.92); C356(0.93); C362(0.93)  LDD0780  [4]
 LDCM0464  CL71 HCT 116 C151(0.73); C293(0.78); C356(0.95); C362(0.95)  LDD0781  [4]
 LDCM0465  CL72 HCT 116 C151(0.78); C293(1.72); C356(0.95); C362(0.95)  LDD0782  [4]
 LDCM0466  CL73 HCT 116 C151(0.89); C293(1.10); C356(1.06); C362(1.06)  LDD0783  [4]
 LDCM0467  CL74 HCT 116 C151(0.92); C293(0.85); C356(0.93); C362(0.93)  LDD0784  [4]
 LDCM0469  CL76 HCT 116 C151(0.93); C204(0.88); C220(0.88); C356(0.97)  LDD0786  [4]
 LDCM0470  CL77 HCT 116 C151(0.95); C204(0.81); C220(0.81); C356(1.04)  LDD0787  [4]
 LDCM0471  CL78 HCT 116 C151(1.00); C204(0.92); C220(0.92); C356(1.17)  LDD0788  [4]
 LDCM0472  CL79 HCT 116 C151(1.30); C204(0.78); C220(0.78); C356(1.12)  LDD0789  [4]
 LDCM0473  CL8 HCT 116 C151(2.04); C204(1.98); C220(1.98); C356(1.25)  LDD0790  [4]
 LDCM0474  CL80 HCT 116 C151(1.10); C204(0.83); C220(0.83); C356(0.91)  LDD0791  [4]
 LDCM0475  CL81 HCT 116 C151(1.32); C204(0.72); C220(0.72); C356(1.04)  LDD0792  [4]
 LDCM0476  CL82 HCT 116 C151(1.31); C204(0.81); C220(0.81); C356(1.13)  LDD0793  [4]
 LDCM0477  CL83 HCT 116 C151(1.28); C204(0.71); C220(0.71); C356(1.11)  LDD0794  [4]
 LDCM0478  CL84 HCT 116 C151(1.57); C204(1.11); C220(1.11); C356(1.21)  LDD0795  [4]
 LDCM0479  CL85 HCT 116 C151(1.01); C204(0.94); C220(0.94); C356(1.08)  LDD0796  [4]
 LDCM0480  CL86 HCT 116 C151(0.84); C204(0.86); C220(0.86); C356(0.94)  LDD0797  [4]
 LDCM0481  CL87 HCT 116 C151(1.08); C204(0.94); C220(0.94); C356(0.97)  LDD0798  [4]
 LDCM0482  CL88 HCT 116 C151(1.27); C204(0.98); C220(0.98); C356(1.28)  LDD0799  [4]
 LDCM0483  CL89 HCT 116 C151(2.11); C204(1.09); C220(1.09); C356(1.26)  LDD0800  [4]
 LDCM0484  CL9 HCT 116 C151(1.03); C204(0.81); C220(0.81); C356(1.02)  LDD0801  [4]
 LDCM0485  CL90 HCT 116 C151(0.91); C204(1.12); C220(1.12); C356(0.92)  LDD0802  [4]
 LDCM0486  CL91 HCT 116 C151(1.14); C356(0.93); C362(0.93); C393(0.77)  LDD0803  [4]
 LDCM0487  CL92 HCT 116 C151(1.03); C356(0.85); C362(0.85); C393(0.90)  LDD0804  [4]
 LDCM0488  CL93 HCT 116 C151(0.90); C356(0.87); C362(0.87); C393(1.02)  LDD0805  [4]
 LDCM0489  CL94 HCT 116 C151(1.00); C356(1.17); C362(1.17); C393(0.81)  LDD0806  [4]
 LDCM0490  CL95 HCT 116 C151(1.34); C356(0.97); C362(0.97); C393(0.75)  LDD0807  [4]
 LDCM0491  CL96 HCT 116 C151(1.06); C356(1.12); C362(1.12); C393(0.78)  LDD0808  [4]
 LDCM0492  CL97 HCT 116 C151(1.07); C356(1.36); C362(1.36); C393(0.74)  LDD0809  [4]
 LDCM0493  CL98 HCT 116 C151(1.13); C356(1.11); C362(1.11); C393(0.75)  LDD0810  [4]
 LDCM0494  CL99 HCT 116 C151(1.01); C356(1.05); C362(1.05); C393(0.75)  LDD0811  [4]
 LDCM0634  CY-0357 Hep-G2 C151(0.31)  LDD2228  [6]
 LDCM0495  E2913 HEK-293T C706(1.06); C293(0.95); C151(1.18); C743(0.96)  LDD1698  [13]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C20(1.11); C96(0.77)  LDD1702  [3]
 LDCM0468  Fragment33 HCT 116 C151(0.76); C293(1.05); C356(0.90); C362(0.90)  LDD0785  [4]
 LDCM0427  Fragment51 HCT 116 C151(1.66); C204(0.95); C220(0.95); C293(1.31)  LDD0744  [4]
 LDCM0022  KB02 HCT 116 C151(2.58); C356(3.04); C362(3.04); C716(1.63)  LDD0080  [4]
 LDCM0023  KB03 HCT 116 C151(1.05); C356(1.99); C362(1.99); C716(1.91)  LDD0081  [4]
 LDCM0024  KB05 HCT 116 C151(3.19); C356(2.15); C362(2.15); C716(1.25)  LDD0082  [4]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C716(0.86)  LDD2121  [3]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C716(0.67)  LDD2089  [3]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C716(1.21); C47(1.04)  LDD2093  [3]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C716(0.96)  LDD2096  [3]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C716(0.71)  LDD2097  [3]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C716(0.30)  LDD2098  [3]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C47(1.09); C20(0.95)  LDD2099  [3]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C47(1.02)  LDD2101  [3]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C47(0.86)  LDD2107  [3]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C47(0.80)  LDD2109  [3]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C716(1.08); C47(1.06)  LDD2111  [3]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C716(1.03); C151(0.62)  LDD2115  [3]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C47(0.55)  LDD2118  [3]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C716(1.66)  LDD2119  [3]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C716(0.71)  LDD2120  [3]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C716(0.13)  LDD2122  [3]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C47(0.86)  LDD2123  [3]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C47(0.74)  LDD2125  [3]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C716(0.15)  LDD2126  [3]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C47(1.14); C20(0.92)  LDD2127  [3]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C716(0.56)  LDD2128  [3]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C716(0.92)  LDD2133  [3]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C716(0.49)  LDD2134  [3]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C646(1.47); C716(1.44); C47(0.81)  LDD2135  [3]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C47(1.31)  LDD2136  [3]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C47(0.99)  LDD2137  [3]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C716(0.97)  LDD2140  [3]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C47(0.98)  LDD2141  [3]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C716(1.71)  LDD2144  [3]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C47(0.93)  LDD2146  [3]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C716(1.65)  LDD2147  [3]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C716(0.96); C151(0.57)  LDD2148  [3]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C706(1.15)  LDD2153  [3]
 LDCM0021  THZ1 HCT 116 C151(1.13); C716(1.16); C356(1.02); C362(1.02)  LDD2173  [4]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) Zinc-containing alcohol dehydrogenase family Q8WWV3
E3 ubiquitin-protein ligase SMURF2 (SMURF2) . Q9HAU4
E3 ubiquitin-protein ligase TTC3 (TTC3) . P53804
Transcription factor
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Mothers against decapentaplegic homolog 1 (SMAD1) Dwarfin/SMAD family Q15797
Mothers against decapentaplegic homolog 2 (SMAD2) Dwarfin/SMAD family Q15796
Mothers against decapentaplegic homolog 3 (SMAD3) Dwarfin/SMAD family P84022
Mothers against decapentaplegic homolog 7 (SMAD7) Dwarfin/SMAD family O15105
Other
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
F-box/LRR-repeat protein 15 (FBXL15) FBXL15 family Q9H469
Polyubiquitin-B (UBB) Ubiquitin family P0CG47
RING finger protein 11 (RNF11) . Q9Y3C5

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 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.
5 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.
6 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
7 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
8 Sequence-Based Prediction of Cysteine Reactivity Using Machine Learning. Biochemistry. 2018 Jan 30;57(4):451-460. doi: 10.1021/acs.biochem.7b00897. Epub 2017 Oct 26.
9 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
10 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.
11 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.
12 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.
13 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