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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

NameDextropropoxyphene
Molecular formulaC22H29NO2
IUPAC name[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate
Molecular weight339.479
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.2
Synonyms(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate
SCHEMBL25405
2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate, (+)-
[(2S,3R)-4-dimethylamino-3-methyl-1,2-di(phenyl)butan-2-yl] propanoate
AC1L1UHN
[ Show all ]
Inchi KeyXLMALTXPSGQGBX-GCJKJVERSA-N
Inchi IDInChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
PubChem CID10100
ChEMBLN/A
IUPHARN/A
BindingDB82269
DrugBankDB00647

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5015000.0 nMPMID28288109BindingDB
EC5032000.0 nMPMID28288109BindingDB

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