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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

NameCHEMBL1270383
Molecular formulaC28H30N2O2
IUPAC name(1R,14S,15R)-25-(cyclobutylmethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
Molecular weight426.56
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM224027
BDBM50329098
Inchi KeyXTQJMKKUNXFEFW-JCYYIGJDSA-N
Inchi IDInChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1
PubChem CID52943376
ChEMBLCHEMBL1270383
IUPHARN/A
BindingDB50329098, 224027
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5019000.0 nMPMID28288109BindingDB

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