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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

NameCHEMBL597396
Molecular formulaC29H28N2O4
IUPAC name1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
Molecular weight468.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL3188084
AMLKCBXPVBOXAU-UHFFFAOYSA-N
BDBM50308092
1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
1-[3-(2-hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-prop-2-ynyloxy-1H-quinazolin-2-one
Inchi KeyAMLKCBXPVBOXAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N2O4/c1-4-15-34-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(33)31(27)19-21-6-5-7-24(17-21)35-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
PubChem CID10115992
ChEMBLCHEMBL597396
IUPHARN/A
BindingDB50308092
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.3 nMPMID20158186BindingDB,ChEMBL

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