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Target
Integrase
Ligand
BDBM50162328
Substrate
n/a
Meas. Tech.
ChEMBL_317582 (CHEMBL825246)
IC50
40000±n/a nM
Citation
 Deng, J; Lee, KW; Sanchez, T; Cui, M; Neamati, N; Briggs, JM Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 48:1496-505 (2005) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50162328
Synonyms:
CHEMBL195166 | N-Furan-2-ylmethyl-N''-(3-{[(furan-2-ylmethyl)-aminooxalyl]-amino}-methyl)-benzyl)-oxalamide | cid_2851556
Type:
Small organic molecule
Emp. Form.:
C22H22N4O6
Mol. Mass.:
438.4333
SMILES:
O=C(NCc1ccco1)C(=O)NCc1cccc(CNC(=O)C(=O)NCc2ccco2)c1
Structure:
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