Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50055708
Substrate
n/a
Meas. Tech.
ChEMBL_88614 (CHEMBL701718)
IC50
76000±n/a nM
Citation
 Zhao, H; Neamati, N; Hong, H; Mazumder, A; Wang, S; Sunder, S; Milne, GW; Pommier, Y; Burke, TR Coumarin-based inhibitors of HIV integrase. J Med Chem 40:242-9 (1997) [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:
BDBM50055708
Synonyms:
4-hydroxy-3-[4-hydroxy-3-methoxyphenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-2H-2-chromenone | CHEMBL392101 | CHEMBL83968
Type:
Small organic molecule
Emp. Form.:
C26H18O8
Mol. Mass.:
458.4163
SMILES:
COc1cc(ccc1O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Structure:
Search PDB for entries with ligand similarity: