Reaction Details  Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM50265724
Substrate
n/a
Meas. Tech.
ChEMBL_492504 (CHEMBL951367)
EC50
5122±n/a nM
Citation
 Frey, V; Viaud, J; Subra, G; Cauquil, N; Guichou, JF; Casara, P; Grassy, G; Chavanieu, A Structure-activity relationships of Bak derived peptides: affinity and specificity modulations by amino acid replacement. Eur J Med Chem 43:966-72 (2008) [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:
BDBM50265724
Synonyms:
(2S,5S,8S,11S,14S)-8-((1H-imidazol-5-yl)methyl)-14-((5S,8S,11S,14S,17S,20S,26S,29S)-32-amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di-sec-butyl-20-(3-guanidinopropyl)-14-isobutyl-26-isopropyl-11-methyl-4,7,10,13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontanamido)-5-(2-amino-2-oxoethyl)-11-(carboxymethyl)-2-(3-guanidinopropyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecane-1,16-dioic acid | CHEMBL448869
Type:
Small organic molecule
Emp. Form.:
C72H121N27O24
Mol. Mass.:
1748.8976
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:2.2,34.41,86.85,17.21,104.104,49.49,8.8,wD:12.12,67.67,53.58,78.77,25.30,94.93,112.112,4.4,(13.52,-15.02,;13.52,-13.48,;14.86,-12.71,;16.19,-13.48,;14.86,-11.17,;13.52,-10.4,;12.19,-11.18,;12.19,-12.72,;10.85,-10.41,;9.52,-11.18,;8.18,-10.42,;8.18,-8.88,;6.85,-11.19,;6.85,-12.73,;5.52,-10.41,;4.18,-11.18,;4.18,-12.72,;2.85,-10.41,;2.85,-8.87,;4.18,-8.1,;4.18,-6.56,;5.51,-8.87,;1.52,-11.19,;.18,-10.43,;.18,-8.89,;-1.16,-11.2,;-1.16,-12.74,;.18,-13.51,;.18,-15.05,;-1.14,-15.81,;1.51,-15.82,;-2.49,-10.42,;-3.82,-11.18,;-3.82,-12.72,;-5.16,-10.41,;-5.16,-8.87,;-3.82,-8.1,;-3.82,-6.56,;-2.49,-5.8,;-2.5,-4.26,;-1.16,-3.48,;-3.84,-3.48,;-6.49,-11.2,;-7.83,-10.44,;-7.83,-8.9,;-9.17,-11.21,;-10.49,-10.42,;-11.84,-11.19,;-11.84,-12.73,;-13.18,-10.42,;-14.5,-11.19,;-15.84,-10.43,;-15.84,-8.89,;-17.18,-11.2,;-17.18,-12.74,;-15.84,-13.51,;-15.84,-15.05,;-17.17,-15.81,;-14.51,-15.82,;-18.51,-10.43,;-19.83,-11.2,;-19.83,-12.74,;-21.17,-10.43,;-22.51,-11.2,;-13.18,-8.88,;-11.83,-8.11,;-14.5,-8.11,;10.85,-8.87,;12.19,-8.1,;9.53,-8.1,;9.53,-6.56,;16.19,-10.4,;16.19,-8.86,;17.53,-11.17,;18.85,-10.39,;20.19,-11.16,;20.19,-12.7,;21.53,-10.4,;22.86,-11.17,;22.86,-12.71,;24.2,-13.48,;25.54,-12.72,;24.2,-15.02,;24.2,-10.4,;24.2,-8.86,;25.53,-11.17,;26.86,-10.39,;26.86,-8.84,;28.19,-8.08,;29.54,-8.86,;28.19,-6.54,;28.2,-11.16,;28.2,-12.7,;29.54,-10.4,;30.87,-11.17,;30.87,-12.71,;32.2,-13.48,;32.37,-15.01,;33.88,-15.33,;34.65,-14,;33.61,-12.85,;32.21,-10.4,;32.21,-8.86,;33.54,-11.17,;34.87,-10.4,;34.87,-8.86,;36.21,-8.09,;37.54,-8.86,;36.21,-6.55,;36.21,-11.17,;36.21,-12.71,;37.54,-10.4,;38.88,-11.17,;38.88,-12.71,;40.21,-13.48,;40.21,-15.02,;41.54,-15.79,;41.54,-17.33,;40.21,-18.11,;42.88,-18.1,;40.21,-10.4,;41.54,-11.17,;40.21,-8.86,)|
Structure:
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