Reaction Details  Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM209073
Substrate
n/a
Meas. Tech.
ChEMBL_2075079 (CHEMBL4730613)
Ki
413±n/a nM
Citation
 Wang, L; Doherty, GA; Judd, AS; Tao, ZF; Hansen, TM; Frey, RR; Song, X; Bruncko, M; Kunzer, AR; Wang, X; Wendt, MD; Flygare, JA; Catron, ND; Judge, RA; Park, CH; Shekhar, S; Phillips, DC; Nimmer, P; Smith, ML; Tahir, SK; Xiao, Y; Xue, J; Zhang, H; Le, PN; Mitten, MJ; Boghaert, ER; Gao, W; Kovar, P; Choo, EF; Diaz, D; Fairbrother, WJ; Elmore, SW; Sampath, D; Leverson, JD; Souers, AJ Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X ACS Med Chem Lett 11:1829-1836 (2020) [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:
BDBM209073
Synonyms:
US9266877, 19
Type:
Small organic molecule
Emp. Form.:
C34H28N6O3S
Mol. Mass.:
600.69
SMILES:
Cc1nn(Cc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Structure:
Search PDB for entries with ligand similarity: