Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50069201
Substrate
n/a
Meas. Tech.
ChEBML_80092
Ki
0.016000±n/a nM
Citation
 Patel, M; Bacheler, LT; Rayner, MM; Cordova, BC; Klabe, RM; Erickson-Viitanen, S; Seitz, SP The synthesis and evaluation of cyclic ureas as HIV protease inhibitors: modifications of the P1/P1' residues. Bioorg Med Chem Lett 8:823-8 (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:
BDBM50069201
Synonyms:
(4R,5S,6S,7R)-5,6-Dihydroxy-4,7-bis-(4-hydroxy-benzyl)-1,3-bis-[3-(1H-pyrazol-3-yl)-benzyl]-[1,3]diazepan-2-one | CHEMBL349637
Type:
Small organic molecule
Emp. Form.:
C39H38N6O5
Mol. Mass.:
670.7562
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(O)cc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: