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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

NameCHEMBL448975
Molecular formulaC31H31ClN6O3
IUPAC nameN-[3-[[5-chloro-4-[(1S,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight571.078
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50413004
Inchi KeyYBHJURJWBBFPSN-RPBOFIJWSA-N
Inchi IDInChI=1S/C31H31ClN6O3/c1-19-23(16-38-31(40)29(32)27(15-34-38)37-18-24-13-25(37)17-36(24)2)5-4-6-26(19)35-30(39)21-9-7-20(8-10-21)22-11-12-28(41-3)33-14-22/h4-12,14-15,24-25H,13,16-18H2,1-3H3,(H,35,39)/t24-,25+/m1/s1
PubChem CID25209535
ChEMBLCHEMBL448975
IUPHARN/A
BindingDB50413004
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50107.0 nMPMID19146417BindingDB
EC50107.15 nMPMID19146417ChEMBL

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