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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	CHEMBL2392163
Molecular formula	C20H16FNO6
IUPAC name	ethyl 6-fluoro-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylate
Molecular weight	385.347
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.9
Synonyms	4-Oxo-6-fluoro-8-(4-methoxybenzoylamino)-2-chromene-2-carboxylic acid ethyl ester BDBM50436029
Inchi Key	RZJVSJYNTZDPDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16FNO6/c1-3-27-20(25)17-10-16(23)14-8-12(21)9-15(18(14)28-17)22-19(24)11-4-6-13(26-2)7-5-11/h4-10H,3H2,1-2H3,(H,22,24)
PubChem CID	71734940
ChEMBL	CHEMBL2392163
IUPHAR	N/A
BindingDB	50436029
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	-1.0 %	PMID23713606	ChEMBL
Inhibition	26.0 %	PMID23713606	ChEMBL

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