Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM50181888
Substrate
n/a
Meas. Tech.
ChEMBL_332728 (CHEMBL859052)
Ki
55±n/a nM
Citation
 Wendt, MD; Shen, W; Kunzer, A; McClellan, WJ; Bruncko, M; Oost, TK; Ding, H; Joseph, MK; Zhang, H; Nimmer, PM; Ng, SC; Shoemaker, AR; Petros, AM; Oleksijew, A; Marsh, K; Bauch, J; Oltersdorf, T; Belli, BA; Martineau, D; Fesik, SW; Rosenberg, SH; Elmore, SW Discovery and structure-activity relationship of antagonists of B-cell lymphoma 2 family proteins with chemopotentiation activity in vitro and in vivo. J Med Chem 49:1165-81 (2006) [PubMed]  Article 
Target
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:
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
  
Inhibitor
Name:
BDBM50181888
Synonyms:
CHEMBL198903 | N-[4-(4,4-dimethylpiperidin-1-yl)benzoyl]-4-((R)-3-morpholin-4-yl-1-phenylsulfanylmethylpropylamino)-3-nitrobenzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C34H43N5O6S2
Mol. Mass.:
681.865
SMILES:
CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: