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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50200952
Substrate
n/a
Meas. Tech.
ChEMBL_422734 (CHEMBL854830)
Ki
>2500±n/a nM
Citation
 Whiting, M; Tripp, JC; Lin, YC; Lindstrom, W; Olson, AJ; Elder, JH; Sharpless, KB; Fokin, VV Rapid discovery and structure-activity profiling of novel inhibitors of human immunodeficiency virus type 1 protease enabled by the copper(I)-catalyzed synthesis of 1,2,3-triazoles and their further functionalization. J Med Chem 49:7697-710 (2006) [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:
BDBM50200952
Synonyms:
CHEMBL407996 | N-((2S,3S)-3-(4-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1,4-diphenylbutan-2-yl)-2-cyclopentylacetamide
Type:
Small organic molecule
Emp. Form.:
C37H45ClN6O
Mol. Mass.:
625.246
SMILES:
Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)CC2CCCC2)CC1 |r|
Structure:
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