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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL2177264
Molecular formula	C25H30O3
IUPAC name	3-benzyl-5-hydroxy-7-(2-methyloctan-2-yl)chromen-2-one
Molecular weight	378.512
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	7.9
Synonyms	BDBM50398222
Inchi Key	ZDCIQHUTWQLKJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
PubChem CID	70678097
ChEMBL	CHEMBL2177264
IUPHAR	N/A
BindingDB	50398222
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	358.0 nM	PMID23679955	BindingDB,ChEMBL

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