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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50285970
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
IC50
1.4±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:
BDBM50285970
Synonyms:
CHEMBL318129 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-Butylcarbamoyl-hexahydro-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-1-phenylsulfanylmethyl-propyl]-carbamic acid (2S,3R)-2-methyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C28H43N3O6S3
Mol. Mass.:
613.853
SMILES:
C[C@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C
Structure:
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