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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM197
Substrate
n/a
Meas. Tech.
ChEMBL_159149 (CHEMBL878776)
EC50
70±n/a nM
Citation
 Greer, J; Erickson, JW; Baldwin, JJ; Varney, MD Application of the three-dimensional structures of protein target molecules in structure-based drug design. J Med Chem 37:1035-54 (1994) [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:
BDBM197
Synonyms:
(2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide | A-76889 | CHEMBL43294
Type:
n/a
Emp. Form.:
C44H58N8O6
Mol. Mass.:
794.9813
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
Structure:
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