Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054179
Substrate
n/a
Meas. Tech.
ChEMBL_159973 (CHEMBL768120)
Ki
0.018±n/a nM
Citation
 Wilkerson, WW; Dax, S; Cheatham, WW Nonsymmetrically substituted cyclic urea HIV protease inhibitors. J Med Chem 40:4079-88 (1998) [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:
BDBM50054179
Synonyms:
(4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis-methylene)]bis[N-2-pyrazinylbenzamide] | 2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyrazinylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}pyrazine | CHEMBL262642
Type:
Small organic molecule
Emp. Form.:
C43H40N8O5
Mol. Mass.:
748.8283
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2cnccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2cnccn2)[C@@H]1Cc1ccccc1
Structure:
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