Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50162327
Substrate
n/a
Meas. Tech.
ChEMBL_317581 (CHEMBL825245)
IC50
510000±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:
BDBM50162327
Synonyms:
CHEMBL191854 | N-{5-[(5-Chloro-2-methyl-phenylaminooxalyl)-hydrazonomethyl]-furan-2-ylmethyl}-N''-(3,4-dimethyl-phenyl)-oxalamide
Type:
Small organic molecule
Emp. Form.:
C25H24ClN5O5
Mol. Mass.:
509.942
SMILES:
Cc1ccc(NC(=O)C(=O)NCc2ccc(\C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1C
Structure:
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