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Target
Integrase
Ligand
BDBM50162333
Substrate
n/a
Meas. Tech.
ChEMBL_306087 (CHEMBL833588)
IC50
38000±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:
BDBM50162333
Synonyms:
5-[3-carboxy-4-(2-thienylcarboxamido)benzyl]-2-(2-thienylcarboxamido)benzoic acid | CHEMBL195244
Type:
Small organic molecule
Emp. Form.:
C25H18N2O6S2
Mol. Mass.:
506.55
SMILES:
OC(=O)c1cc(Cc2ccc(NC(=O)c3cccs3)c(c2)C(O)=O)ccc1NC(=O)c1cccs1
Structure:
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