Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50478103
Substrate
n/a
Meas. Tech.
ChEMBL_469364 (CHEMBL933047)
Ki
3.6±n/a nM
Citation
 Wu, X; Ohrngren, P; Ekegren, JK; Unge, J; Unge, T; Wallberg, H; Samuelsson, B; Hallberg, A; Larhed, M Two-carbon-elongated HIV-1 protease inhibitors with a tertiary-alcohol-containing transition-state mimic. J Med Chem 51:1053-7 (2008) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50478103
Synonyms:
CHEMBL405019
Type:
Small organic molecule
Emp. Form.:
C41H49N5O6
Mol. Mass.:
707.8577
SMILES:
COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: