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

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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}
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DiseaseSecondary hyperparathyroidism
Osteoporosis
Myelodysplastic syndrome
Hyperparathyroidism
Cerebrovascular ischaemia
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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

NameCHEMBL1224190
Molecular formulaC16H19NO
IUPAC name(1R)-N-benzyl-1-(3-methoxyphenyl)ethanamine
Molecular weight241.334
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsAC1OG9I1
ZINC4240722
BDBM50325725
AKOS019951286
(R)-N-benzyl-1-(3-methoxyphenyl)ethanamine
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Inchi KeyAWFLVVVPPDRGCE-CYBMUJFWSA-N
Inchi IDInChI=1S/C16H19NO/c1-13(15-9-6-10-16(11-15)18-2)17-12-14-7-4-3-5-8-14/h3-11,13,17H,12H2,1-2H3/t13-/m1/s1
PubChem CID7145229
ChEMBLCHEMBL1224190
IUPHARN/A
BindingDB50325725
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
EC501200.0 nMPMID20708930BindingDB,ChEMBL
Emax24.0 %PMID20708930ChEMBL

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