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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

NameCHEMBL474473
Molecular formulaC29H29ClN6O3
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight545.04
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL1161850
BDBM50412989
Inchi KeyQIRVZVCPNDJFQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)
PubChem CID25209356
ChEMBLCHEMBL474473
IUPHARN/A
BindingDB50412989
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5023.99 nMPMID19146417ChEMBL
EC5024.0 nMPMID19146417BindingDB
Intrinsic activity0.67 -PMID19146417ChEMBL

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