Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1145
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
0.100000±n/a nM
Citation
 Katritzky, AR; Oliferenko, A; Lomaka, A; Karelson, M Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships. Bioorg Med Chem Lett 12:3453-7 (2002) [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:
BDBM1145
Synonyms:
(4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hydroxy-3-(1H-indazol-5-ylmethyl)-4-(2-phenylethyl)-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-1-(3-aminophenyl-methyl)-3-[1H-indazol-5-ylmethyl]-4-(2-phenylethyl)-5-hydroxy-6-phenylmethyl-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 93
Type:
Small organic molecule
Emp. Form.:
C34H35N5O2
Mol. Mass.:
545.674
SMILES:
Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r|
Structure:
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