Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM50357757
Substrate
n/a
Meas. Tech.
ChEMBL_785940 (CHEMBL1921340)
Ki
3.2±n/a nM
Citation
 Goreshnik, I; Brock, AM; Maly, DJ Biochemical and pharmacological profiling of the pro-survival protein Bcl-xL. Bioorg Med Chem Lett 21:4951-5 (2011) [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:
BDBM50357757
Synonyms:
CHEMBL1916195
Type:
Small organic molecule
Emp. Form.:
C133H204N40O38S
Mol. Mass.:
3003.353
SMILES:
CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:118.121,99.100,85.91,62.71,47.54,30.34,8.15,127.129,141.143,161.164,174.177,191.195,204.208,wD:104.117,94.95,74.82,38.43,19.26,4.4,133.135,150.152,180.183,(18.31,-39.34,;16.98,-38.56,;17,-37.02,;15.66,-36.24,;15.68,-34.69,;14.35,-33.92,;13.01,-34.68,;13,-36.22,;11.68,-33.89,;11.69,-32.35,;13.03,-31.59,;13.04,-30.05,;14.38,-29.29,;14.39,-27.75,;13.06,-26.98,;15.73,-26.99,;10.34,-34.65,;9.02,-33.88,;9.02,-32.34,;7.67,-34.64,;7.66,-36.18,;8.99,-36.95,;8.98,-38.5,;10.31,-39.28,;10.3,-40.82,;8.96,-41.58,;11.63,-41.6,;6.34,-33.86,;5.01,-34.62,;4.99,-36.16,;3.67,-33.84,;3.69,-32.3,;5.02,-31.54,;5.04,-30,;6.36,-32.32,;2.33,-34.6,;1.01,-33.82,;1.02,-32.28,;-.33,-34.58,;-.34,-36.13,;.99,-36.9,;.97,-38.44,;-.36,-39.2,;2.3,-39.22,;-1.66,-33.8,;-3,-34.56,;-3.01,-36.11,;-4.33,-33.78,;-4.32,-32.24,;-2.98,-31.48,;-2.97,-29.94,;-1.62,-29.18,;-1.62,-27.64,;-2.94,-26.86,;-.28,-26.88,;-5.66,-34.54,;-7,-33.77,;-6.98,-32.23,;-8.34,-34.53,;-9.66,-33.75,;-11,-34.51,;-11.01,-36.05,;-12.33,-33.73,;-12.32,-32.19,;-10.98,-31.43,;-9.65,-32.21,;-8.31,-31.45,;-8.31,-29.9,;-6.96,-29.15,;-9.63,-29.13,;-10.97,-29.89,;-13.68,-34.49,;-15.01,-33.71,;-15,-32.17,;-16.34,-34.47,;-16.35,-36.01,;-15.03,-36.79,;-15.04,-38.33,;-13.71,-39.11,;-13.72,-40.65,;-15.05,-41.42,;-12.4,-41.43,;-17.69,-33.69,;-19.02,-34.45,;-19.02,-35.99,;-20.34,-33.67,;-20.33,-32.13,;-19,-31.37,;-18.99,-29.83,;-20.31,-29.06,;-17.64,-29.07,;-21.67,-34.43,;-23.02,-33.66,;-23,-32.12,;-24.35,-34.42,;-24.37,-35.96,;-25.67,-33.63,;-27.02,-34.39,;-27.02,-35.94,;-28.35,-33.62,;-28.34,-32.08,;-29.68,-34.38,;-31.01,-33.6,;-30.99,-32.06,;-32.34,-34.36,;-32.36,-35.9,;-31.04,-36.68,;-29.78,-35.79,;-28.54,-36.7,;-29.03,-38.17,;-28.27,-39.51,;-29.06,-40.83,;-30.6,-40.82,;-31.35,-39.48,;-30.58,-38.15,;-33.68,-33.58,;-35.02,-34.34,;-35.03,-35.88,;-36.34,-33.56,;-37.69,-34.32,;-36.34,-32.03,;-35,-31.26,;-34.98,-29.72,;-33.66,-32.04,;17.02,-33.93,;17.03,-32.39,;18.34,-34.71,;19.69,-33.95,;19.69,-32.41,;21.03,-31.66,;21.01,-34.73,;21,-36.27,;22.35,-33.97,;23.69,-34.75,;23.67,-36.29,;25,-37.07,;26.33,-36.31,;24.99,-38.61,;25.02,-33.99,;25.03,-32.45,;26.35,-34.76,;27.69,-34,;27.7,-32.46,;29.04,-31.7,;29.05,-30.16,;27.72,-29.39,;30.39,-29.4,;29.01,-34.79,;29.01,-36.33,;30.36,-34.03,;31.68,-34.8,;31.67,-36.35,;33.01,-37.13,;34.34,-36.37,;35.67,-37.15,;35.66,-38.68,;34.32,-39.44,;32.99,-38.67,;33.02,-34.04,;33.04,-32.5,;34.36,-34.83,;35.69,-34.07,;35.7,-32.53,;37.04,-31.77,;37.05,-30.22,;35.73,-29.44,;38.39,-29.46,;37.02,-34.84,;37.01,-36.38,;38.36,-34.08,;39.69,-34.86,;41.03,-34.1,;41.04,-32.56,;42.36,-34.87,;43.69,-34.12,;43.71,-32.57,;45.05,-31.82,;45.03,-34.9,;45.01,-36.44,;46.37,-34.14,;47.69,-34.91,;47.68,-36.45,;49.01,-37.24,;50.35,-36.48,;51.68,-37.25,;51.67,-38.79,;50.33,-39.55,;49,-38.78,;49.03,-34.15,;49.04,-32.61,;50.36,-34.94,;51.7,-34.18,;51.72,-32.64,;53.05,-31.87,;53.06,-30.34,;54.4,-29.57,;54.41,-28.03,;53.03,-34.95,;53.02,-36.49,;54.36,-34.19,;55.7,-34.97,;57.04,-34.21,;57.04,-32.67,;58.36,-34.99,;59.7,-34.23,;59.72,-32.69,;61.05,-31.93,;61.07,-30.39,;62.39,-32.71,;61.04,-35.01,;62.37,-34.25,;61.02,-36.55,)|
Structure:
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