Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054621
Substrate
n/a
Meas. Tech.
ChEMBL_159327 (CHEMBL769380)
IC50
>1000±n/a nM
Citation
 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD Structure-based design of HIV protease inhibitors: 5,6-dihydro-4-hydroxy-2-pyrones as effective, nonpeptidic inhibitors. J Med Chem 39:4630-42 (1996) [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:
BDBM50054621
Synonyms:
7-Benzyl-4-hydroxy-3-(1-phenyl-allyl)-1-oxa-spiro[5.5]undec-3-en-2-one | CHEMBL336000
Type:
Small organic molecule
Emp. Form.:
C26H28O3
Mol. Mass.:
388.4987
SMILES:
C=CC(C1C(=O)CC2(CCCCC2Cc2ccccc2)OC1=O)c1ccccc1
Structure:
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