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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

NameCHEMBL3730405
Molecular formulaC31H30N2O2
IUPAC name[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] N-naphthalen-1-ylcarbamate
Molecular weight462.593
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.9
SynonymsN/A
Inchi KeyGWISHPBAFMUVHK-BDCODIICSA-N
Inchi IDInChI=1S/C31H30N2O2/c34-31(32-27-17-9-15-22-10-7-8-16-26(22)27)35-30-25-18-20-33(21-19-25)29(30)28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,25,28-30H,18-21H2,(H,32,34)/t29?,30-/m1/s1
PubChem CID11641227
ChEMBLCHEMBL3730405
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50124.0 nMNoneChEMBL
IC501220.0 nMNoneChEMBL

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