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GPCR

NameMas-related G-protein coupled receptor member X1
SpeciesHomo sapiens (Human)
GeneMRGPRX1
SynonymSensory neuron-specific G-protein coupled receptor 4
Sensory neuron-specific G-protein coupled receptor 3/4
MRGX1
MRGPRX1
Mrgprc11
[ Show all ]
DiseaseN/A
Length322
Amino acid sequenceMDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ
UniProtQ96LB2
Protein Data BankN/A
GPCR-HGmod modelQ96LB2
3D structure modelThis predicted structure model is from GPCR-EXP Q96LB2.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5850
IUPHAR156
DrugBankN/A

Ligand

NameCHEMBL1760000
Molecular formulaC26H30Cl3N7O
IUPAC name2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-[(3,5-dichloropyridin-4-yl)methyl]-N-ethylacetamide
Molecular weight562.924
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50340750
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-((3,5-dichloropyridin-4-yl)methyl)-N-ethylacetamide
Inchi KeyURQQWTLRIVLHHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30Cl3N7O/c1-2-35(17-21-22(28)15-30-16-23(21)29)25(37)18-34-11-13-36(14-12-34)24-8-10-32-26(33-24)31-9-7-19-3-5-20(27)6-4-19/h3-6,8,10,15-16H,2,7,9,11-14,17-18H2,1H3,(H,31,32,33)
PubChem CID54586326
ChEMBLCHEMBL1760000
IUPHARN/A
BindingDB50340750
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5077.0 nMPMID21333534BindingDB,ChEMBL

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