Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054174
Substrate
n/a
Meas. Tech.
ChEMBL_157551 (CHEMBL763303)
Ki
0.018±n/a nM
Citation
 Debnath, AK Three-dimensional quantitative structure-activity relationship study on cyclic urea derivatives as HIV-1 protease inhibitors: application of comparative molecular field analysis. J Med Chem 42:249-59 (1999) [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:
BDBM50054174
Synonyms:
3-[4,7-dibenzyl-3-(3-hydrazinocarbonylbenzyl)-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]-1-benzenecarbohydrazide | CHEMBL316147
Type:
Small organic molecule
Emp. Form.:
C35H38N6O5
Mol. Mass.:
622.7134
SMILES:
NNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NN)C2=O)c1
Structure:
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