Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50006828
Substrate
n/a
Meas. Tech.
ChEMBL_157569 (CHEMBL763320)
Ki
0.240000±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:
BDBM50006828
Synonyms:
2-(2-{[1-(3-{2-[2-(2-Amino-3-hydroxy-propionylamino)-4-methyl-pentanoylamino]-3-carbamoyl-propionylamino}-2-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoylamino)-3-methyl-butyric acid methyl ester | CHEMBL2369944
Type:
Small organic molecule
Emp. Form.:
C40H66N8O10
Mol. Mass.:
818.9996
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)OC
Structure:
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