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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	CHEMBL2387536
Molecular formula	C20H19FO3
IUPAC name	3-[(4-fluorophenyl)methyl]-6-methoxy-5,7,8-trimethylchromen-2-one
Molecular weight	326.367
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.0
Synonyms	BDBM50434878
Inchi Key	SFAFBMCTCOQXBE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19FO3/c1-11-12(2)19-17(13(3)18(11)23-4)10-15(20(22)24-19)9-14-5-7-16(21)8-6-14/h5-8,10H,9H2,1-4H3
PubChem CID	71682642
ChEMBL	CHEMBL2387536
IUPHAR	N/A
BindingDB	50434878
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	13500.0 nM	PMID23679955	BindingDB,ChEMBL

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