Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50010493
Substrate
n/a
Meas. Tech.
ChEMBL_160732 (CHEMBL878991)
IC50
>100±n/a nM
Citation
 Krohn, ARedshaw, SRitchie, JCGraves, BJHatada, MH Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere. J Med Chem 34:3340-2 (1991) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50010493
Synonyms:
Benzyloxycarbonyl-Asn-Phe-[S]-[CH(OH)CH2N]-decahydroisoquinolin-3-yl-carbonyloxy-Ile-Val-OMe | CHEMBL262044
Type:
Small organic molecule
Emp. Form.:
C44H64N6O9
Mol. Mass.:
821.0138
SMILES:
CC[C@H](C)[C@H](NC(=O)C1CC2CCCCC2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Structure:
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