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I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameCHEMBL458516
Molecular formulaC28H27N5O6
IUPAC name2-(1,3-benzodioxol-5-ylmethylamino)-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
Molecular weight529.553
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.0
Synonymstrisubstituted pyrimidine analogue, 11m
2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
BDBM28012
Inchi KeyACUIVHWRXISZPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N5O6/c1-35-24-11-9-20(27(32-24)36-2)25-21(26(34)29-12-13-37-19-6-4-3-5-7-19)16-31-28(33-25)30-15-18-8-10-22-23(14-18)39-17-38-22/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,29,34)(H,30,31,33)
PubChem CID25218729
ChEMBLCHEMBL458516
IUPHARN/A
BindingDB28012
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50220.0 nMPMID19143533BindingDB,ChEMBL

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