Reaction Details  Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM50020933
Substrate
n/a
Meas. Tech.
ChEMBL_2075077 (CHEMBL4730611)
Ki
11±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:
Bcl-2-like protein 1
Synonyms:
Anti-apoptotic Bcl-2 protein | Apoptosis Regulator Bcl-xL | Apoptosis regulator Bcl-X | B2CL1_HUMAN | BCL2-like 1 isoform 1 | BCL2L | BCL2L1 | BCLX | Bcl-2-like protein 1 (Bcl-XL) | Bcl-X | Bcl-xL/Bcl-2-binding component 3 | Bcl2-L-1 | Bcl2-antagonist of cell death (BAD)
Type:
Mitochondrion membrane; Single-pass membrane protein
Mol. Mass.:
26039.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
233
Sequence:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
  
Inhibitor
Name:
BDBM50020933
Synonyms:
CHEMBL3287296
Type:
Small organic molecule
Emp. Form.:
C32H28N4O4S
Mol. Mass.:
564.654
SMILES:
OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Structure:
Search PDB for entries with ligand similarity: