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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50091611
Substrate
n/a
Meas. Tech.
ChEMBL_159325 (CHEMBL769378)
IC50
1.1±n/a nM
Citation
 Dorsey, BD; McDonough, C; McDaniel, SL; Levin, RB; Newton, CL; Hoffman, JM; Darke, PL; Zugay-Murphy, JA; Emini, EA; Schleif, WA; Olsen, DB; Stahlhut, MW; Rutkowski, CA; Kuo, LC; Lin, JH; Chen, IW; Michelson, SR; Holloway, MK; Huff, JR; Vacca, JP Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors. J Med Chem 43:3386-99 (2000) [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:
BDBM50091611
Synonyms:
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(2-methoxy-pyridin-3-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide | CHEMBL323882
Type:
Small organic molecule
Emp. Form.:
C37H49N5O5
Mol. Mass.:
643.8155
SMILES:
COc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C
Structure:
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