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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	CHEMBL2392178
Molecular formula	C18H10BrNO7
IUPAC name	8-(1,3-benzodioxole-5-carbonylamino)-6-bromo-4-oxochromene-2-carboxylic acid
Molecular weight	432.182
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.6
Synonyms	BDBM50436011
Inchi Key	FUKFLDCZGWCNGA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H10BrNO7/c19-9-4-10-12(21)6-15(18(23)24)27-16(10)11(5-9)20-17(22)8-1-2-13-14(3-8)26-7-25-13/h1-6H,7H2,(H,20,22)(H,23,24)
PubChem CID	71733847
ChEMBL	CHEMBL2392178
IUPHAR	N/A
BindingDB	50436011
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	9.0 %	PMID23713606	ChEMBL
Inhibition	46.0 %	PMID23713606	ChEMBL

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