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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	MLS000389271
Molecular formula	C24H16O4
IUPAC name	[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] benzoate
Molecular weight	368.388
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.8
Synonyms	cid_15945279 SMR000255544 BDBM61069 HMS2539J08 [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] benzoate benzoic acid [2-[(Z)-3-(2-benzofuranyl)-3-oxoprop-1-enyl]phenyl] ester CHEMBL1404067 benzoic acid [2-[(Z)-3-(benzofuran-2-yl)-3-keto-prop-1-enyl]phenyl] ester [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] benzoate [ Show all ]
Inchi Key	CLDRRCVYIHWHOC-PFONDFGASA-N
Inchi ID	InChI=1S/C24H16O4/c25-20(23-16-19-11-5-7-13-22(19)27-23)15-14-17-8-4-6-12-21(17)28-24(26)18-9-2-1-3-10-18/h1-16H/b15-14-
PubChem CID	15945279
ChEMBL	CHEMBL1404067
IUPHAR	N/A
BindingDB	61069
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
EC50	15400.7 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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