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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	Homo sapiens (Human)
Gene	MRGPRX1
Synonym	Sensory neuron-specific G-protein coupled receptor 4 Sensory neuron-specific G-protein coupled receptor 3/4 MRGX1 MRGPRX1 Mrgprc11 Mrgprc Mrgprb2 Mrgc SNSR4 [ Show all ]
Disease	N/A
Length	322
Amino acid sequence	MDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ
UniProt	Q96LB2
Protein Data Bank	N/A
GPCR-HGmod model	Q96LB2
3D structure model	This predicted structure model is from GPCR-EXP Q96LB2.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5850
IUPHAR	156
DrugBank	N/A

Ligand

Name	CHEMBL457788
Molecular formula	C22H23ClN6O2
IUPAC name	N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]pyridine-3-carboxamide
Molecular weight	438.916
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.6
Synonyms	BDBM50412992
Inchi Key	SSRALUHRQZHILF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClN6O2/c1-15-17(4-2-6-18(15)27-21(30)16-5-3-7-25-12-16)14-29-22(31)20(23)19(13-26-29)28-10-8-24-9-11-28/h2-7,12-13,24H,8-11,14H2,1H3,(H,27,30)
PubChem CID	25208743
ChEMBL	CHEMBL457788
IUPHAR	N/A
BindingDB	50412992
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	19952.6 nM	PMID19146417	ChEMBL
EC50	19953.0 nM	PMID19146417	BindingDB
Intrinsic activity	0.37 -	PMID19146417	ChEMBL

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