Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054618
Substrate
n/a
Meas. Tech.
ChEMBL_157706 (CHEMBL763380)
Ki
59±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:
BDBM50054618
Synonyms:
3-(Cyclopentyl-phenyl-methyl)-4-hydroxy-6-phenethyl-6-propyl-5,6-dihydro-pyran-2-one | CHEMBL143663
Type:
Small organic molecule
Emp. Form.:
C28H34O3
Mol. Mass.:
418.5678
SMILES:
CCCC1(CCc2ccccc2)CC(=O)C(C(C2CCCC2)c2ccccc2)C(=O)O1
Structure:
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