Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM50586596
Substrate
n/a
Meas. Tech.
ChEMBL_2169227 (CHEMBL5054286)
Kd
2.3±n/a nM
Citation
 Pal, P; Thummuri, D; Lv, D; Liu, X; Zhang, P; Hu, W; Poddar, SK; Hua, N; Khan, S; Yuan, Y; Zhang, X; Zhou, D; Zheng, G Discovery of a Novel BCL-X J Med Chem 64:14230-14246 (2021) [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:
BDBM50586596
Synonyms:
CHEMBL5087367
Type:
Small organic molecule
Emp. Form.:
C77H96ClF3N10O10S4
Mol. Mass.:
1542.355
SMILES:
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSc2ccccc2)Nc2cc(ccc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CCC(C)(C)C3)c3ccc(Cl)cc3)CC2)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:74|
Structure:
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