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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	CHEMBL470199
Molecular formula	C18H16O3
IUPAC name	3-benzyl-5-methoxy-7-methylchromen-2-one
Molecular weight	280.323
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50278379 D08MON 3-Benzyl-5-methoxy-7-methylchromen-2-one
Inchi Key	AOPKGUPAQXHRKK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16O3/c1-12-8-16(20-2)15-11-14(18(19)21-17(15)9-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
PubChem CID	16067266
ChEMBL	CHEMBL470199
IUPHAR	N/A
BindingDB	50278379
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6740.0 nM	PMID23679955	BindingDB,ChEMBL

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