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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50142971
Substrate
n/a
Meas. Tech.
ChEMBL_157865 (CHEMBL764753)
Ki
60±n/a nM
Citation
 Reid, RC; Pattenden, LK; Tyndall, JD; Martin, JL; Walsh, T; Fairlie, DP Countering cooperative effects in protease inhibitors using constrained beta-strand-mimicking templates in focused combinatorial libraries. J Med Chem 47:1641-51 (2004) [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:
BDBM50142971
Synonyms:
6-{(4-Amino-benzenesulfonyl)-[(S)-2-(R)-hydroxy-2-((S)-10-isopropyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-ethyl]-amino}-hexanoic acid | CHEMBL296992
Type:
Small organic molecule
Emp. Form.:
C33H48N4O8S
Mol. Mass.:
660.821
SMILES:
CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCCCCC(O)=O)S(=O)(=O)c1ccc(N)cc1)cc2
Structure:
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