Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50029537
Substrate
n/a
Meas. Tech.
ChEMBL_157873 (CHEMBL765640)
Ki
330±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:
BDBM50029537
Synonyms:
4-Hydroxy-11-methyl-3-(1-phenyl-propyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyran-2-one | CHEMBL139850
Type:
Small organic molecule
Emp. Form.:
C22H28O3
Mol. Mass.:
340.4559
SMILES:
CCC(c1ccccc1)c1c(O)c2CCCCCCC(C)c2oc1=O
Structure:
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