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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM158
Substrate
n/a
Meas. Tech.
ChEMBL_157551 (CHEMBL763303)
Ki
0.21±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:
BDBM158
Synonyms:
3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-{[3-(ethylcarbamoyl)phenyl]methyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-ethylbenzamide | CHEMBL81396 | Cyclic Urea
Type:
n/a
Emp. Form.:
C39H44N4O5
Mol. Mass.:
648.7905
SMILES:
CCNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NCC)C2=O)c1
Structure:
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