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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	CHEMBL3774473
Molecular formula	C22H22N4O3
IUPAC name	3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
Molecular weight	390.443
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.5
Synonyms	BDBM50151367
Inchi Key	BIQUIXLLTIGXHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N4O3/c27-20(22(10-11-22)17-6-2-1-3-7-17)25-13-8-18(9-14-25)26-21(28)29-19(24-26)16-5-4-12-23-15-16/h1-7,12,15,18H,8-11,13-14H2
PubChem CID	127031142
ChEMBL	CHEMBL3774473
IUPHAR	N/A
BindingDB	50151367
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	420.0 nM	PMID26916440	BindingDB,ChEMBL

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