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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

NameCHEMBL3718857
Molecular formulaC29H28N8O3S
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(1,3-thiazol-2-yl)benzimidazole-5-carboxamide
Molecular weight568.656
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.1
SynonymsN/A
Inchi KeyDCTNXOXLHAANJR-DEOSSOPVSA-N
Inchi IDInChI=1S/C29H28N8O3S/c30-25(38)24(10-5-13-33-28(31)32)37-23-12-11-19(27(39)36-29-34-14-15-41-29)17-22(23)35-26(37)18-6-4-9-21(16-18)40-20-7-2-1-3-8-20/h1-4,6-9,11-12,14-17,24H,5,10,13H2,(H2,30,38)(H4,31,32,33)(H,34,36,39)/t24-/m0/s1
PubChem CID24779707
ChEMBLCHEMBL3718857
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502511.89 nMNoneChEMBL
Efficacy73.0 %NoneChEMBL

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