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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	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	CHEMBL451657
Molecular formula	C32H29ClN6O2
IUPAC name	N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-quinolin-8-ylbenzamide
Molecular weight	565.074
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.6
Synonyms	BDBM50413000
Inchi Key	YXEKTZFDSSZQIH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H29ClN6O2/c1-21-25(20-39-32(41)29(33)28(19-36-39)38-17-15-34-16-18-38)6-3-9-27(21)37-31(40)24-12-10-22(11-13-24)26-8-2-5-23-7-4-14-35-30(23)26/h2-14,19,34H,15-18,20H2,1H3,(H,37,40)
PubChem CID	25209355
ChEMBL	CHEMBL451657
IUPHAR	N/A
BindingDB	50413000
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	288.0 nM	PMID19146417	BindingDB
EC50	288.4 nM	PMID19146417	ChEMBL
Intrinsic activity	0.82 -	PMID19146417	ChEMBL

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