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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

Name(-)-metazocine
Molecular formulaC15H21NO
IUPAC name(1R,9R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight231.339
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.8
Synonyms2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2alpha,6alpha,11S)-
BDBM224014
Metazocine (2R,6R,11S)-form [MI]
UNII-2AO0073XHO component YGSVZRIZCHZUHB-COLVAYQJSA-N
cis-(-)-Metazocine
[ Show all ]
Inchi KeyYGSVZRIZCHZUHB-COLVAYQJSA-N
Inchi IDInChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15+/m0/s1
PubChem CID443404
ChEMBLN/A
IUPHARN/A
BindingDB224014
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5015000.0 nMPMID28288109BindingDB
EC5019000.0 nMPMID28288109BindingDB

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