Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50067593
Substrate
n/a
Meas. Tech.
ChEMBL_594343 (CHEMBL1048541)
Ki
0.300000±n/a nM
Citation
 Mahalingam, AK; Axelsson, L; Ekegren, JK; Wannberg, J; Kihlström, J; Unge, T; Wallberg, H; Samuelsson, B; Larhed, M; Hallberg, A HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem 53:607-15 (2010) [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:
BDBM50067593
Synonyms:
CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK-639 | US10806794, Compound Indinavir
Type:
Small organic molecule
Emp. Form.:
C36H47N5O4
Mol. Mass.:
613.7895
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
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