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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50285974
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
IC50
1.7±n/a nM
Citation
 Hornback, WJ; Munroe, JE; Shepherd, TA; Hatch, SD; Muesing, MA; Wiskerchen, M; Colacino, JM; Baxter, AJ SYNTHESIS AND PHARMACOKINETICS OF POTENT CARBAMATE HIV-1 PROTEASE INHIBITORS CONTAINING NOVEL HIGH AFFINITY HYDROXYETHYLAMINE ISOSTERES Bioorg Med Chem Lett 5:2891-6 (1995)    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:
BDBM50285974
Synonyms:
CHEMBL100048 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-Butylcarbamoyl-hexahydro-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-1-phenylsulfanylmethyl-propyl]-carbamic acid (S)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C27H41N3O6S3
Mol. Mass.:
599.826
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1
Structure:
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