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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameMas-related G-protein coupled receptor member X1
SpeciesHomo sapiens (Human)
GeneMRGPRX1
SynonymSensory neuron-specific G-protein coupled receptor 4
Sensory neuron-specific G-protein coupled receptor 3/4
MRGX1
MRGPRX1
Mrgprc11
[ Show all ]
DiseaseN/A
Length322
Amino acid sequenceMDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ
UniProtQ96LB2
Protein Data BankN/A
GPCR-HGmod modelQ96LB2
3D structure modelThis predicted structure model is from GPCR-EXP Q96LB2.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5850
IUPHAR156
DrugBankN/A

Ligand

NameCHEMBL3730179
Molecular formulaC30H33NO
IUPAC name(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(3,5-dimethylphenyl)ethanol
Molecular weight423.6
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.7
SynonymsL008647
Inchi KeyOZBJHOWASPNNLC-NHFJDJAPSA-N
Inchi IDInChI=1S/C30H33NO/c1-21-17-22(2)19-26(18-21)28(32)20-27-23-13-15-31(16-14-23)30(27)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-20,23,28-30,32H,13-16H2,1-2H3/b27-20+
PubChem CID44210958
ChEMBLCHEMBL3730179
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMNoneChEMBL

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