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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

NameCHEMBL458001
Molecular formulaC28H26ClN5O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
Molecular weight499.999
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50412983
Inchi KeyIIGRUZXPSNFKHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
PubChem CID44581972
ChEMBLCHEMBL458001
IUPHARN/A
BindingDB50412983
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC508317.64 nMPMID19146417ChEMBL
EC508318.0 nMPMID19146417BindingDB

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