Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50006831
Substrate
n/a
Meas. Tech.
ChEMBL_159304 (CHEMBL769357)
IC50
>3000±n/a nM
Citation
 Tucker, TJ; Lumma, WC; Payne, LS; Wai, JM; de Solms, SJ; Giuliani, EA; Darke, PL; Heimbach, JC; Zugay, JA; Schleif, WA A series of potent HIV-1 protease inhibitors containing a hydroxyethyl secondary amine transition state isostere: synthesis, enzyme inhibition, and antiviral activity. J Med Chem 35:2525-33 (1992) [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:
BDBM50006831
Synonyms:
CHEMBL316216 | {1-Benzyl-2-hydroxy-3-[3-(2-hydroxy-indan-1-ylcarbamoyl)-octahydro-isoquinolin-2-yl]-propyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C34H47N3O5
Mol. Mass.:
577.7541
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC1C(O)Cc2ccccc12
Structure:
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