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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Mas-related G-protein coupled receptor member X1
Species	Rattus norvegicus (Rat)
Gene	Mrgprx1
Synonym	Sensory neuron-specific G-protein coupled receptor 1
Disease	N/A for non-human GPCRs
Length	323
Amino acid sequence	MDPTISSLSTESTTLNKTGHPSCRPILTLSFLVPIITLLGLAGNTIVLWLLGFRMRRKAISVYVLNLSLADSFFLCCHFIDSLMRIMNFYGIYAHKLSKEILGNAAIIPYISGLSILSAISTERCLSVLWPIWYHCHRPRNMSAIICVLIWVLSFLMGILDWFFSGFLGETHHHLWKNVDFIVTAFLIFLFMLLFGSSLALLVRILCGSRRKPLSRLYVTISLTVMVYLICGLPLGLYLFLLYWFGIHLHYPFCHIYQVTVLLSCVNSSANPIIYFLVGSFRHRKKHRSLKMVLKRALEETPEEDEYTDSHVQKPTEISERRC
UniProt	Q8R4G1
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3341575
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3730717
Molecular formula	C29H31NO2
IUPAC name	(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(2-methoxyphenyl)ethanol
Molecular weight	425.572
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.9
Synonyms	L008642
Inchi Key	ACNNRRQKRUXREB-LKUDQCMESA-N
Inchi ID	InChI=1S/C29H31NO2/c1-32-27-15-9-8-14-24(27)26(31)20-25-21-16-18-30(19-17-21)29(25)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20-21,26,28-29,31H,16-19H2,1H3/b25-20+
PubChem CID	11718827
ChEMBL	CHEMBL3730717
IUPHAR	N/A
BindingDB	N/A
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	187.0 nM	None	ChEMBL
IC50	550.0 nM	None	ChEMBL

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