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Target
Bcl-2-like protein 1
Ligand
BDBM209066
Substrate
n/a
Meas. Tech.
ChEMBL_2075077 (CHEMBL4730611)
Ki
0.044000±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
More Info.:
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:
BDBM209066
Synonyms:
US9266877, 12
Type:
Small organic molecule
Emp. Form.:
C35H30N6O3S
Mol. Mass.:
614.716
SMILES:
Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(4.85,3.64,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|