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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	CHEMBL1762704
Molecular formula	C28H34ClN7O
IUPAC name	2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)acetamide
Molecular weight	520.078
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50340749 2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)acetamide
Inchi Key	MIGAYPGLYCKTFK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34ClN7O/c29-25-5-3-22(4-6-25)9-13-31-28-32-14-10-26(33-28)35-17-15-34(16-18-35)21-27(37)36(19-23-1-2-23)20-24-7-11-30-12-8-24/h3-8,10-12,14,23H,1-2,9,13,15-21H2,(H,31,32,33)
PubChem CID	54581019
ChEMBL	CHEMBL1762704
IUPHAR	N/A
BindingDB	50340749
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	295.0 nM	PMID21333534	BindingDB,ChEMBL

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