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GLASS

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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	CHEMBL3781158
Molecular formula	C24H28N4O4
IUPAC name	furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
Molecular weight	436.512
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.3
Synonyms	BDBM50156108
Inchi Key	AQWDNHQURKZWRU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
PubChem CID	127034069
ChEMBL	CHEMBL3781158
IUPHAR	N/A
BindingDB	50156108
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.88 nM	PMID26789378	BindingDB
EC50	0.88 nM	PMID26789378	ChEMBL
EC50	19.8 nM	PMID26789378	ChEMBL
EC50	20.0 nM	PMID26789378	BindingDB
Emax	43.0 %	PMID26789378	ChEMBL
Emax	106.0 %	PMID26789378	ChEMBL

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