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GPCR

NameCalcitonin receptor
SpeciesHomo sapiens (Human)
GeneCALCR
SynonymCTRI1-
CTR2
CTR
CT-R
CT receptor
[ Show all ]
DiseasePain; Postmenopausal osteoporosis
Paget's disease
Hypertension
Osteoporosis
Length508
Amino acid sequenceMQFSGEKISGQRDLQKSKMRFTFTSRCLALFLLLNHPTPILPAFSNQTYPTIEPKPFLYVVGRKKMMDAQYKCYDRMQQLPAYQGEGPYCNRTWDGWLCWDDTPAGVLSYQFCPDYFPDFDPSEKVTKYCDEKGVWFKHPENNRTWSNYTMCNAFTPEKLKNAYVLYYLAIVGHSLSIFTLVISLGIFVFFRKLTTIFPLNWKYRKALSLGCQRVTLHKNMFLTYILNSMIIIIHLVEVVPNGELVRRDPVSCKILHFFHQYMMACNYFWMLCEGIYLHTLIVVAVFTEKQRLRWYYLLGWGFPLVPTTIHAITRAVYFNDNCWLSVETHLLYIIHGPVMAALVVNFFFLLNIVRVLVTKMRETHEAESHMYLKAVKATMILVPLLGIQFVVFPWRPSNKMLGKIYDYVMHSLIHFQGFFVATIYCFCNNEVQTTVKRQWAQFKIQWNQRWGRRPSNRSARAAAAAAEAGDIPIYICHQEPRNEPANNQGEESAEIIPLNIIEQESSA
UniProtP30988
Protein Data Bank6niy, 5ii0
GPCR-HGmod modelP30988
3D structure modelThis structure is from PDB ID 6niy.
BioLiPBL0346076,BL0346077,BL0346078, BL0438754
Therapeutic Target DatabaseT32247
ChEMBLCHEMBL1832
IUPHAR43
DrugBankN/A

Ligand

NameCHEMBL62108
Molecular formulaC17H17FN2O4S
IUPAC name6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight364.391
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.6
Synonyms2-(Cyclopentylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
BDBM50102230
SCHEMBL3218385
6-Cyclopentanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
Inchi KeySHVNZDOZJFWLCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17FN2O4S/c18-13-6-8-14(9-7-13)19-17(21)12-5-10-16(20(22)11-12)25(23,24)15-3-1-2-4-15/h5-11,15H,1-4H2,(H,19,21)
PubChem CID21878309
ChEMBLCHEMBL62108
IUPHARN/A
BindingDB50102230
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition4.0 %PMID11459668ChEMBL

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