Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054172
Substrate
n/a
Meas. Tech.
ChEMBL_157551 (CHEMBL763303)
Ki
0.11±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:
BDBM50054172
Synonyms:
2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}-1,3,4-thiadiazole | CHEMBL280046
Type:
Small organic molecule
Emp. Form.:
C39H36N8O5S2
Mol. Mass.:
760.884
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nncs2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nncs2)[C@@H]1Cc1ccccc1
Structure:
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