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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

NameCHEMBL3717645
Molecular formulaC36H37FN8O3
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide
Molecular weight648.743
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.0
SynonymsSCHEMBL14020512
Inchi KeyDYFZGWGXKHXHBT-YTTGMZPUSA-N
Inchi IDInChI=1S/C36H37FN8O3/c37-26-12-14-27(15-13-26)43-18-20-44(21-19-43)35(47)25-11-16-31-30(23-25)42-34(45(31)32(33(38)46)10-5-17-41-36(39)40)24-6-4-9-29(22-24)48-28-7-2-1-3-8-28/h1-4,6-9,11-16,22-23,32H,5,10,17-21H2,(H2,38,46)(H4,39,40,41)/t32-/m0/s1
PubChem CID59819634
ChEMBLCHEMBL3717645
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50251.19 nMNoneChEMBL
EC501000.0 nMNoneChEMBL
Efficacy88.0 %NoneChEMBL
Efficacy146.0 %NoneChEMBL

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