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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

NameHYDROCODONE
Molecular formulaC18H21NO3
IUPAC name(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight299.37
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.2
SynonymsHydrocodone prodrug (oral, pain), KemPharm
Hydrovo (TN)
(-)-Dihydrocodeinone
Lortab (TN)
3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one
[ Show all ]
Inchi KeyLLPOLZWFYMWNKH-CMKMFDCUSA-N
Inchi IDInChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
PubChem CID5284569
ChEMBLCHEMBL1457
IUPHAR7081
BindingDB50386689
DrugBankDB00956

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5011000.0 nMPMID28288109BindingDB
EC5019000.0 nMPMID28288109BindingDB

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