Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50055588
Substrate
n/a
Meas. Tech.
ChEMBL_157575 (CHEMBL763326)
Ki
0.037±n/a nM
Citation
 Jadhav, PK; Ala, P; Woerner, FJ; Chang, CH; Garber, SS; Anton, ED; Bacheler, LT Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV. J Med Chem 40:181-91 (1997) [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:
BDBM50055588
Synonyms:
CHEMBL301219 | N-(1H-Benzoimidazol-2-yl)-3-((4R,5S,6S,7R)-4,7-dibenzyl-3-cyclopropylmethyl-5,6-dihydroxy-2-oxo-[1,3]diazepan-1-ylmethyl)-benzamide
Type:
Small organic molecule
Emp. Form.:
C38H39N5O4
Mol. Mass.:
629.7474
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1
Structure:
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