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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50096449
Substrate
n/a
Meas. Tech.
ChEMBL_159630 (CHEMBL763422)
IC50
4±n/a nM
Citation
 Mak, CC; Le, VD; Lin, YC; Elder, JH; Wong, CH Design, synthesis, and biological evaluation of HIV/FIV protease inhibitors incorporating a conformationally constrained macrocycle with a small P3' residue. Bioorg Med Chem Lett 11:219-22 (2001) [PubMed]
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:
BDBM50096449
Synonyms:
(S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-{(S)-3-methyl-2-[2-((S)-phenylmethoxycarbonylamino)-propionylamino]-butyrylamino}-5-phenyl-pentylcarbamoyl)-2-methyl-propylamino]-propionic acid benzyl ester | CHEMBL305458
Type:
Small organic molecule
Emp. Form.:
C49H63N5O9
Mol. Mass.:
866.0526
SMILES:
CC(C)[C@@H](N[C@@H](C)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C
Structure:
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