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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

NameCHEMBL3717941
Molecular formulaC34H32F3N7O3
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
Molecular weight643.671
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.5
SynonymsN/A
Inchi KeyGSNUNSDCZPXTDL-LJAQVGFWSA-N
Inchi IDInChI=1S/C34H32F3N7O3/c35-34(36,37)24-9-4-7-21(17-24)20-42-32(46)23-14-15-28-27(19-23)43-31(44(28)29(30(38)45)13-6-16-41-33(39)40)22-8-5-12-26(18-22)47-25-10-2-1-3-11-25/h1-5,7-12,14-15,17-19,29H,6,13,16,20H2,(H2,38,45)(H,42,46)(H4,39,40,41)/t29-/m0/s1
PubChem CID127024460
ChEMBLCHEMBL3717941
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50398.11 nMNoneChEMBL
Efficacy95.0 %NoneChEMBL

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