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GPCR

NameExtracellular calcium-sensing receptor
SpeciesHomo sapiens (Human)
GeneCASR
SynonymhCasR {ECO:0000303|PubMed:27386547}
GPRC2A
extracellular calcium-sensing receptor
Parathyroid cell calcium-sensing receptor 1 {ECO:0000303|PubMed:8698326}
PCaR1 {ECO:0000303|PubMed:8698326}
[ Show all ]
DiseaseOsteoporosis
Cerebrovascular ischaemia
Cardiovascular disease; Kidney disease
Secondary hyperparathyroidism
Myelodysplastic syndrome
[ Show all ]
Length1078
Amino acid sequenceMAFYSCCWVLLALTWHTSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFLRGHEESGDRFSNSSTAFRPLCTGDENISSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTIEEVRCSTAAHAFKVAARATLRRSNVSRKRSSSLGGSTGSTPSSSISSKSNSEDPFPQPERQKQQQPLALTQQEQQQQPLTLPQQQRSQQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSTHQNSLEAQKSSDTLTRHEPLLPLQCGETDLDLTVQETGLQGPVGGDQRPEVEDPEELSPALVVSSSQSFVISGGGSTVTENVVNS
UniProtP41180
Protein Data Bank5k5t, 5k5s, 5fbk, 5fbh
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 5k5t.
BioLiPBL0353424,BL0353430, BL0353434, BL0353425,BL0353426,BL0353427,, BL0349612,BL0349615, BL0349611,BL0349614, BL0349610,BL0349613, BL0349606,BL0349609, BL0349605,BL0349608, BL0349604,BL0349607
Therapeutic Target DatabaseT92076
ChEMBLCHEMBL1878
IUPHAR54
DrugBankBE0000509

Ligand

NameCHEMBL1224263
Molecular formulaC23H25NO2
IUPAC name(1R)-1-(3-methoxyphenyl)-N-[[3-(4-methoxyphenyl)phenyl]methyl]ethanamine
Molecular weight347.458
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
Synonyms(R)-N-((4''-methoxybiphenyl-3-yl)methyl)-1-(3-methoxyphenyl)ethanamine
BDBM50325732
SCHEMBL3921614
Inchi KeyAHRINSLALPTLTE-QGZVFWFLSA-N
Inchi IDInChI=1S/C23H25NO2/c1-17(20-7-5-9-23(15-20)26-3)24-16-18-6-4-8-21(14-18)19-10-12-22(25-2)13-11-19/h4-15,17,24H,16H2,1-3H3/t17-/m1/s1
PubChem CID49866003
ChEMBLCHEMBL1224263
IUPHARN/A
BindingDB50325732
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<5000.0 nMPMID20708930BindingDB,ChEMBL
EC50870.0 nMPMID20708930BindingDB,ChEMBL
Emax95.0 %PMID20708930ChEMBL

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