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GPCR

NameExtracellular calcium-sensing receptor
SpeciesHomo sapiens (Human)
GeneCASR
SynonymCaS receptor
extracellular calcium-sensing receptor
divalent cation-sensing receptor
PCaR1 {ECO:0000303|PubMed:8698326}
hCasR {ECO:0000303|PubMed:27386547}
[ Show all ]
DiseaseSecondary hyperparathyroidism
Osteoporosis
Myelodysplastic syndrome
Hyperparathyroidism
Cerebrovascular ischaemia
[ Show all ]
Length1078
Amino acid sequenceMAFYSCCWVLLALTWHTSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFLRGHEESGDRFSNSSTAFRPLCTGDENISSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTIEEVRCSTAAHAFKVAARATLRRSNVSRKRSSSLGGSTGSTPSSSISSKSNSEDPFPQPERQKQQQPLALTQQEQQQQPLTLPQQQRSQQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSTHQNSLEAQKSSDTLTRHEPLLPLQCGETDLDLTVQETGLQGPVGGDQRPEVEDPEELSPALVVSSSQSFVISGGGSTVTENVVNS
UniProtP41180
Protein Data Bank5fbh, 5k5s, 5k5t, 5fbk
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 5fbh.
BioLiPBL0349605,BL0349608, BL0349604,BL0349607, BL0349606,BL0349609, BL0353425,BL0353426,BL0353427,, BL0353434, BL0349610,BL0349613, BL0349611,BL0349614, BL0349612,BL0349615, BL0353424,BL0353430
Therapeutic Target DatabaseT92076
ChEMBLCHEMBL1878
IUPHAR54
DrugBankBE0000509

Ligand

NameCHEMBL455406
Molecular formulaC30H32N4O4
IUPAC name6-[benzyl(ethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
Molecular weight512.61
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM28016
trisubstituted pyridine analogue, 18b
6-[benzyl(ethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
Inchi KeyDPISCHMOAFKKEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32N4O4/c1-4-34(21-22-11-7-5-8-12-22)26-17-15-24(29(35)31-19-20-38-23-13-9-6-10-14-23)28(32-26)25-16-18-27(36-2)33-30(25)37-3/h5-18H,4,19-21H2,1-3H3,(H,31,35)
PubChem CID25218733
ChEMBLCHEMBL455406
IUPHARN/A
BindingDB28016
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501050.0 nMPMID19143533BindingDB,ChEMBL

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