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GPCR

NameMas-related G-protein coupled receptor member X2
SpeciesHomo sapiens (Human)
GeneMRGPRX2
SynonymMrgprb10
MRGPRX2
MRGX2
DiseaseN/A
Length330
Amino acid sequenceMDPTTPAWGTESTTVNGNDQALLLLCGKETLIPVFLILFIALVGLVGNGFVLWLLGFRMRRNAFSVYVLSLAGADFLFLCFQIINCLVYLSNFFCSISINFPSFFTTVMTCAYLAGLSMLSTVSTERCLSVLWPIWYRCRRPRHLSAVVCVLLWALSLLLSILEGKFCGFLFSDGDSGWCQTFDFITAAWLIFLFMVLCGSSLALLVRILCGSRGLPLTRLYLTILLTVLVFLLCGLPFGIQWFLILWIWKDSDVLFCHIHPVSVVLSSLNSSANPIIYFFVGSFRKQWRLQQPILKLALQRALQDIAEVDHSEGCFRQGTPEMSRSSLV
UniProtQ96LB1
Protein Data BankN/A
GPCR-HGmod modelQ96LB1
3D structure modelThis predicted structure model is from GPCR-EXP Q96LB1.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5849
IUPHAR157
DrugBankN/A

Ligand

NameZINC2433
Molecular formulaC17H23NO
IUPAC name(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Molecular weight257.377
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.1
Synonyms(17R)-17-Methylmorphinan-3-ol
(17S)-17-Methylmorphinan-3-ol
Inchi KeyJAQUASYNZVUNQP-XIRDDKMYSA-N
Inchi IDInChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16-,17-/m0/s1
PubChem CID5390113
ChEMBLN/A
IUPHARN/A
BindingDB224028
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5013000.0 nMPMID28288109BindingDB
EC5022000.0 nMPMID28288109BindingDB

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