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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

NameCHEMBL3717681
Molecular formulaC33H34N8O3
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide
Molecular weight590.688
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.1
SynonymsSCHEMBL14020511
Inchi KeyWHNYQHWYHHGWHD-LJAQVGFWSA-N
Inchi IDInChI=1S/C33H34N8O3/c34-30(42)29(13-7-18-39-33(35)36)41-28-15-14-23(32(43)38-19-16-24-9-4-5-17-37-24)21-27(28)40-31(41)22-8-6-12-26(20-22)44-25-10-2-1-3-11-25/h1-6,8-12,14-15,17,20-21,29H,7,13,16,18-19H2,(H2,34,42)(H,38,43)(H4,35,36,39)/t29-/m0/s1
PubChem CID59819673
ChEMBLCHEMBL3717681
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50158.49 nMNoneChEMBL
EC50398.11 nMNoneChEMBL
Efficacy106.0 %NoneChEMBL
Efficacy176.0 %NoneChEMBL

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