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Target
Integrase
Ligand
BDBM50241052
Substrate
n/a
Meas. Tech.
ChEMBL_547420 (CHEMBL1026710)
IC50
29700±n/a nM
Citation
 Kim, HJ; Woo, ER; Shin, CG; Park, H A new flavonol glycoside gallate ester from Acer okamotoanum and its inhibitory activity against human immunodeficiency virus-1 (HIV-1) integrase. J Nat Prod 61:145-8 (1998) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50241052
Synonyms:
1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | CHEMBL382408 | acs.jmedchem.1c00409_ST.650 | beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)
Type:
Small organic molecule
Emp. Form.:
C41H32O26
Mol. Mass.:
940.6772
SMILES:
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Structure:
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