Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50118962
Substrate
n/a
Meas. Tech.
ChEBML_159288
IC50
0.200000±n/a nM
Citation
 Raghavan, S; Yang, Z; Mosley, RT; Schleif, WA; Gabryelski, L; Olsen, DB; Stahlhut, M; Kuo, LC; Emini, EA; Chapman, KT; Tata, JR Combinatorial library of indinavir analogues: replacement for the aminoindanol at P2'. Bioorg Med Chem Lett 12:2855-8 (2002) [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:
BDBM50118962
Synonyms:
(R)-1-[(3R,5R)-2-Hydroxy-4-(4-hydroxy-2,6-dimethyl-benzylcarbamoyl)-5-phenyl-pentyl]-4-(1-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-sulfonyl)-piperazine-2-carboxylic acid tert-butylamide | CHEMBL318114
Type:
Small organic molecule
Emp. Form.:
C42H53N7O6S
Mol. Mass.:
783.979
SMILES:
Cc1cc(O)cc(C)c1CNC(=O)[C@@H](C[C@@H](O)CN1CCN(C[C@@H]1C(=O)NC(C)(C)C)S(=O)(=O)c1ccc2N(CCc2c1)c1ncccn1)Cc1ccccc1
Structure:
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