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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

NameCHEMBL3732603
Molecular formulaC27H27N3O4
IUPAC name[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] N-(3-nitrophenyl)carbamate
Molecular weight457.53
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsN/A
Inchi KeyGKPYSHUAQDVIOU-FXDYGKIASA-N
Inchi IDInChI=1S/C27H27N3O4/c31-27(28-22-12-7-13-23(18-22)30(32)33)34-26-21-14-16-29(17-15-21)25(26)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,21,24-26H,14-17H2,(H,28,31)/t25?,26-/m1/s1
PubChem CID11503486
ChEMBLCHEMBL3732603
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
IC50290.0 nMNoneChEMBL
IC501850.0 nMNoneChEMBL

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