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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50369584
Substrate
n/a
Meas. Tech.
ChEMBL_79980 (CHEMBL690417)
Ki
0.3±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:
BDBM50369584
Synonyms:
CHEMBL1790230
Type:
Small organic molecule
Emp. Form.:
C43H54N6O6
Mol. Mass.:
750.9255
SMILES:
CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C
Structure:
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