Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM174
Substrate
n/a
Meas. Tech.
ChEMBL_157717 (CHEMBL763391)
Ki
1.4±n/a nM
Citation
 Han, Q; Chang, CH; Li, R; Ru, Y; Jadhav, PK; Lam, PY Cyclic HIV protease inhibitors: design and synthesis of orally bioavailable, pyrazole P2/P2' cyclic ureas with improved potency. J Med Chem 41:2019-28 (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:
BDBM174
Synonyms:
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-butanoylphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one | CHEMBL304411 | Cyclic Urea
Type:
n/a
Emp. Form.:
C41H46N2O5
Mol. Mass.:
646.8143
SMILES:
CCCC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)CCC)C2=O)c1
Structure:
Search PDB for entries with ligand similarity: