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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

NameCHEMBL3719266
Molecular formulaC34H36N8O3
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-methyl-2-(3-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide
Molecular weight604.715
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.3
SynonymsSCHEMBL14020514
Inchi KeyBRYPYUOISATLPO-PMERELPUSA-N
Inchi IDInChI=1S/C34H36N8O3/c1-41(20-17-25-10-5-6-18-38-25)33(44)24-15-16-29-28(22-24)40-32(42(29)30(31(35)43)14-8-19-39-34(36)37)23-9-7-13-27(21-23)45-26-11-3-2-4-12-26/h2-7,9-13,15-16,18,21-22,30H,8,14,17,19-20H2,1H3,(H2,35,43)(H4,36,37,39)/t30-/m0/s1
PubChem CID59819672
ChEMBLCHEMBL3719266
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Efficacy46.0 %NoneChEMBL

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