Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054168
Substrate
n/a
Meas. Tech.
ChEMBL_160750 (CHEMBL769064)
Ki
0.02±n/a nM
Citation
 Wilkerson, WWAkamike, ECheatham, WWHollis, AYCollins, RDDeLucca, ILam, PYRu, Y HIV protease inhibitory bis-benzamide cyclic ureas: a quantitative structure-activity relationship analysis. J Med Chem 39:4299-312 (1996) [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:
BDBM50054168
Synonyms:
(4alpha,5alpha,6beta,7beta)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis-(methylene)]bis[N-hydroxybenzamide] | 1N-hydroxy-3-[4,7-dibenzyl-3-(3-ethylcarbamoylbenzyl)-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide | CHEMBL315929
Type:
Small organic molecule
Emp. Form.:
C35H36N4O7
Mol. Mass.:
624.6829
SMILES:
ONC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NO)C2=O)c1
Structure:
Search PDB for entries with ligand similarity: