Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM50427832
Substrate
n/a
Meas. Tech.
ChEMBL_940708 (CHEMBL2329999)
IC50
15±n/a nM
Citation
 Aguilar, A; Zhou, H; Chen, J; Liu, L; Bai, L; McEachern, D; Yang, CY; Meagher, J; Stuckey, J; Wang, S A potent and highly efficacious Bcl-2/Bcl-xL inhibitor. J Med Chem 56:3048-67 (2013) [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:
BDBM50427832
Synonyms:
CHEMBL2326041
Type:
Small organic molecule
Emp. Form.:
C52H59ClN8O6S2
Mol. Mass.:
991.658
SMILES:
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r,wU:53.59,5.14,51.55,wD:53.58,(25.19,-28.45,;26.52,-27.68,;27.85,-28.44,;26.52,-26.14,;27.85,-25.36,;27.85,-23.82,;29.18,-23.05,;30.51,-23.82,;31.85,-23.05,;33.18,-23.83,;34.51,-23.06,;34.51,-21.51,;33.16,-20.75,;31.84,-21.52,;26.51,-23.06,;25.18,-23.83,;25.18,-25.37,;23.85,-26.13,;22.52,-25.36,;22.51,-23.83,;23.84,-23.06,;23.83,-21.51,;25.17,-20.74,;22.5,-20.75,;21.19,-26.13,;21.95,-27.46,;20.42,-27.45,;19.85,-25.37,;18.52,-26.14,;18.53,-27.69,;17.19,-28.46,;15.85,-27.69,;15.86,-26.15,;17.19,-25.38,;14.52,-28.46,;13.19,-27.69,;11.86,-28.45,;11.85,-29.99,;13.18,-30.77,;14.53,-30,;10.52,-30.75,;10.52,-32.29,;9.18,-33.05,;7.85,-32.28,;7.85,-30.74,;9.19,-29.97,;6.52,-29.96,;6.36,-28.43,;7.51,-27.4,;8.97,-27.88,;7.2,-25.89,;8.35,-24.87,;8.44,-23.33,;9.97,-23.41,;11.51,-23.4,;10.73,-22.07,;9.88,-24.95,;4.86,-28.1,;4.24,-26.69,;4.09,-29.43,;2.55,-29.58,;5.11,-30.58,;4.78,-32.08,;3.31,-32.54,;2.98,-34.04,;4.12,-35.08,;3.79,-36.59,;5.59,-34.61,;5.92,-33.11,)|
Structure:
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