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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

NameCHEMBL1762704
Molecular formulaC28H34ClN7O
IUPAC name2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)acetamide
Molecular weight520.078
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50340749
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)acetamide
Inchi KeyMIGAYPGLYCKTFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34ClN7O/c29-25-5-3-22(4-6-25)9-13-31-28-32-14-10-26(33-28)35-17-15-34(16-18-35)21-27(37)36(19-23-1-2-23)20-24-7-11-30-12-8-24/h3-8,10-12,14,23H,1-2,9,13,15-21H2,(H,31,32,33)
PubChem CID54581019
ChEMBLCHEMBL1762704
IUPHARN/A
BindingDB50340749
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50295.0 nMPMID21333534BindingDB,ChEMBL

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