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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50029541
Substrate
n/a
Meas. Tech.
ChEMBL_76105 (CHEMBL684606)
IC50
17100±n/a nM
Citation
 Romines, KR; Watenpaugh, KD; Howe, WJ; Tomich, PK; Lovasz, KD; Morris, JK; Janakiraman, MN; Lynn, JC; Horng, MM; Chong, KT Structure-based design of nonpeptidic HIV protease inhibitors from a cyclooctylpyranone lead structure. J Med Chem 38:4463-73 (1995) [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:
BDBM50029541
Synonyms:
(E)-N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-phenyl-acrylamide | CHEMBL139070
Type:
Small organic molecule
Emp. Form.:
C30H31NO4
Mol. Mass.:
469.5714
SMILES:
Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NC(=O)C=Cc2ccccc2)c1 |w:27.30|
Structure:
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