Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50029528
Substrate
n/a
Meas. Tech.
ChEMBL_76105 (CHEMBL684606)
IC50
21900±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:
BDBM50029528
Synonyms:
CHEMBL138205 | N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-4-fluoro-benzamide
Type:
Small organic molecule
Emp. Form.:
C28H28FNO4
Mol. Mass.:
461.5246
SMILES:
Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NC(=O)c2ccc(F)cc2)c1
Structure:
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