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GLASS

You can:

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	CHEMBL145103
Molecular formula	C28H28N2O
IUPAC name	4-[(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)oxymethyl]benzonitrile
Molecular weight	408.545
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.4
Synonyms	BDBM50029849 L007238 4-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymethyl)-benzonitrile SCHEMBL8799805
Inchi Key	VXGPTRVARWWDQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H28N2O/c29-19-21-11-13-22(14-12-21)20-31-28-25-15-17-30(18-16-25)27(28)26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25-28H,15-18,20H2
PubChem CID	11661466
ChEMBL	CHEMBL145103
IUPHAR	N/A
BindingDB	50029849
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
IC50	632.0 nM	None	ChEMBL
IC50	5600.0 nM	None	ChEMBL

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