Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetApoptosis regulator Bcl-2
LigandBDBM50330253
Substrate/Competitorn/a
Meas. Tech.ChEMBL_676276 (CHEMBL1273517)
Ki 4470±n/a nM
Citation Wei, JKitada, SStebbins, JLPlaczek, WZhai, DWu, BRega, MFZhang, ZCellitti, JYang, LDahl, RReed, JCPellecchia, M Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem53:8000-11 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Apoptosis regulator Bcl-2
Name:Apoptosis regulator Bcl-2
Synonyms:Apoptosis regulator Bcl-2 Protein | B-cell lymphoma 2 protein (Bcl-2) | BCL-2 | BCL2 | BCL2_HUMAN | Bcl-2 Protein
Type:Homodimer or heterodimer
Mol. Mass.:26269.11
Organism:Homo sapiens (Human)
Description:P10415
Residue:239
Sequence:
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPA
ASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLH
LTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEY
LNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50330253
n/a
NameBDBM50330253
Synonyms:5,5'-Bis(2-cyclohexylethyl)-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-2,2'-binaphthyl-1,1',4,4'-tetraone | CHEMBL1269074
TypeSmall organic molecule
Emp. Form.C38H42O8
Mol. Mass.626.7353
SMILESOc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCC5CCCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CCC2CCCCC2)c1O |w:36.40,17.17,(6.04,-1.44,;7.37,-2.21,;8.7,-1.43,;10.04,-2.21,;11.38,-1.43,;11.37,.11,;12.72,-2.2,;14.05,-1.44,;15.39,-2.21,;15.38,-3.75,;16.71,-1.45,;18.03,-2.23,;19.38,-1.48,;20.7,-2.26,;19.39,.07,;20.73,.82,;18.06,.86,;18.07,2.4,;19.41,3.15,;19.42,4.69,;20.78,5.44,;20.79,6.98,;19.47,7.76,;18.13,7.01,;18.11,5.47,;16.72,.09,;15.39,.87,;15.39,2.4,;14.05,.1,;12.72,.87,;12.72,-3.75,;14.05,-4.52,;11.38,-4.52,;11.38,-6.06,;10.05,-3.75,;8.7,-4.52,;8.7,-6.06,;7.36,-6.83,;7.36,-8.37,;6.03,-9.13,;6.02,-10.66,;7.35,-11.44,;8.69,-10.68,;8.7,-9.13,;7.37,-3.75,;6.04,-4.52,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: