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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

NameCHEMBL3715864
Molecular formulaC30H35N7O3
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-butyl-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide
Molecular weight541.656
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.4
SynonymsN/A
Inchi KeyTZWMNSNPDWLTGZ-SANMLTNESA-N
Inchi IDInChI=1S/C30H35N7O3/c1-2-3-16-34-29(39)21-14-15-25-24(19-21)36-28(37(25)26(27(31)38)13-8-17-35-30(32)33)20-9-7-12-23(18-20)40-22-10-5-4-6-11-22/h4-7,9-12,14-15,18-19,26H,2-3,8,13,16-17H2,1H3,(H2,31,38)(H,34,39)(H4,32,33,35)/t26-/m0/s1
PubChem CID25026048
ChEMBLCHEMBL3715864
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50630.96 nMNoneChEMBL
Efficacy150.0 %NoneChEMBL

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