Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM50303216
Substrate
n/a
Meas. Tech.
ChEMBL_1732226 (CHEMBL4147762)
Ki
320±n/a nM
Citation
 Wan, Y; Dai, N; Tang, Z; Fang, H Small-molecule Mcl-1 inhibitors: Emerging anti-tumor agents. Eur J Med Chem 146:471-482 (2018) [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:
BDBM50303216
Synonyms:
CHEMBL4165406
Type:
Small organic molecule
Emp. Form.:
C29H28O8
Mol. Mass.:
504.5278
SMILES:
CC(C)c1cc2cc(c(O)c(C=O)c2c(O)c1O)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(4.39,-16.38,;5.72,-15.61,;7.06,-16.39,;5.72,-14.07,;7.06,-13.3,;7.05,-11.76,;8.37,-10.99,;8.37,-9.46,;7.03,-8.69,;7.03,-7.15,;5.72,-9.46,;4.38,-8.7,;4.37,-7.16,;5.72,-10.99,;4.39,-11.76,;3.06,-10.99,;4.39,-13.3,;3.06,-14.07,;9.7,-8.67,;11.04,-9.43,;11.05,-10.97,;12.37,-8.65,;12.35,-7.11,;13.67,-6.33,;15.01,-7.08,;15.03,-8.62,;16.34,-6.3,;13.66,-4.78,;14.98,-4,;12.3,-4.03,;12.28,-2.49,;10.98,-4.82,;9.64,-4.07,;9.62,-2.53,;11,-6.35,;9.68,-7.14,;8.34,-6.39,)|
Structure:
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