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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	CHEMBL514267
Molecular formula	C23H23ClFN5O2
IUPAC name	N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-2-fluorobenzamide
Molecular weight	455.918
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50412991
Inchi Key	OUKGWHNUYSNLLP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23ClFN5O2/c1-15-16(5-4-8-19(15)28-22(31)17-6-2-3-7-18(17)25)14-30-23(32)21(24)20(13-27-30)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,28,31)
PubChem CID	25209191
ChEMBL	CHEMBL514267
IUPHAR	N/A
BindingDB	50412991
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	20893.0 nM	PMID19146417	ChEMBL
EC50	20893.0 nM	PMID19146417	BindingDB
Intrinsic activity	0.55 -	PMID19146417	ChEMBL

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