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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}
[ 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

NameCHEMBL2349586
Molecular formulaC31H37N3O3
IUPAC name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea
Molecular weight499.655
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL926407
BDBM50432136
Inchi KeyDYUVMPXQXHHVKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H37N3O3/c1-2-30(35)27-14-9-15-28(24-27)32-31(36)34(19-18-33-20-22-37-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,2,16-23H2,1H3,(H,32,36)
PubChem CID16737168
ChEMBLCHEMBL2349586
IUPHARN/A
BindingDB50432136
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50150.0 nMPMID23465611BindingDB,ChEMBL

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