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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50092151
Substrate
n/a
Meas. Tech.
ChEMBL_157865 (CHEMBL764753)
Ki
1.7±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:
BDBM50092151
Synonyms:
(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE | 4-Amino-N-[(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]-N-(3-methyl-butyl)-benzenesulfonamide | 4-Amino-N-[2-hydroxy-2-(10-isopropyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide | CHEMBL442738
Type:
Small organic molecule
Emp. Form.:
C32H48N4O6S
Mol. Mass.:
616.812
SMILES:
CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Structure:
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