Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50484170
Substrate
n/a
Meas. Tech.
ChEMBL_762389 (CHEMBL1816562)
IC50
>100000±n/a nM
Citation
 Fan, X; Zhang, FH; Al-Safi, RI; Zeng, LF; Shabaik, Y; Debnath, B; Sanchez, TW; Odde, S; Neamati, N; Long, YQ Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groups. Bioorg Med Chem 19:4935-52 (2011) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus type 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50484170
Synonyms:
CHEMBL1813495
Type:
Small organic molecule
Emp. Form.:
C15H12N2O3
Mol. Mass.:
268.2674
SMILES:
Oc1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1O
Structure:
Search PDB for entries with ligand similarity: