Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM50316671
Substrate
n/a
Meas. Tech.
ChEMBL_632207 (CHEMBL1106540)
Kd
2000±n/a nM
Citation
 Wei, J; Stebbins, JL; Kitada, S; Dash, R; Placzek, W; Rega, MF; Wu, B; Cellitti, J; Zhai, D; Yang, L; Dahl, R; Fisher, PB; Reed, JC; Pellecchia, M BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem 53:4166-76 (2010) [PubMed]  Article 
Target
Name:
Bcl-2-like protein 1
Synonyms:
Anti-apoptotic Bcl-2 protein | Apoptosis Regulator Bcl-xL | Apoptosis regulator Bcl-X | B2CL1_HUMAN | BCL2-like 1 isoform 1 | BCL2L | BCL2L1 | BCLX | Bcl-2-like protein 1 (Bcl-XL) | Bcl-X | Bcl-xL/Bcl-2-binding component 3 | Bcl2-L-1 | Bcl2-antagonist of cell death (BAD)
Type:
Mitochondrion membrane; Single-pass membrane protein
Mol. Mass.:
26039.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
233
Sequence:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
  
Inhibitor
Name:
BDBM50316671
Synonyms:
(S)-1,(R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((S)-2-phenylpropyl)-N5'-((S)-2-phenylpropyl)-2,2'-binaphthyl-5,5'-dicarboxamide
Type:
Small organic molecule
Emp. Form.:
C42H40N2O8
Mol. Mass.:
700.7756
SMILES:
C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:30.32,wD:1.0,(20.84,-14.32,;21.62,-15.64,;23.16,-15.63,;23.92,-14.29,;25.46,-14.28,;26.24,-15.61,;26.22,-12.94,;25.44,-11.62,;23.9,-11.64,;26.19,-10.28,;25.41,-8.96,;27.74,-10.27,;28.52,-11.6,;30.05,-11.59,;30.8,-10.25,;30.82,-12.9,;30.06,-14.24,;30.84,-15.57,;28.53,-14.25,;27.76,-12.93,;32.36,-12.89,;33.14,-14.22,;32.38,-15.56,;34.68,-14.21,;35.44,-12.86,;36.98,-12.84,;37.77,-14.16,;37.01,-15.51,;39.31,-14.14,;40.09,-15.47,;41.63,-15.45,;42.39,-14.1,;42.42,-16.77,;41.66,-18.11,;42.45,-19.43,;43.99,-19.42,;44.74,-18.06,;43.95,-16.74,;37.73,-11.49,;39.27,-11.47,;36.94,-10.16,;37.68,-8.82,;35.4,-10.19,;34.65,-11.53,;33.11,-11.55,;32.33,-10.23,;20.86,-16.98,;19.32,-16.99,;18.56,-18.33,;19.33,-19.67,;20.87,-19.66,;21.64,-18.32,)|
Structure:
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