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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

NameCHEMBL60066
Molecular formulaC12H8ClFN2O2
IUPAC name6-chloro-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight266.656
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.8
SynonymsSCHEMBL3228209
6-Chloro-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
2-Chloro-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
BDBM50102221
MEWOMDUCJFJDGL-UHFFFAOYSA-N
Inchi KeyMEWOMDUCJFJDGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H8ClFN2O2/c13-11-6-1-8(7-16(11)18)12(17)15-10-4-2-9(14)3-5-10/h1-7H,(H,15,17)
PubChem CID9795327
ChEMBLCHEMBL60066
IUPHARN/A
BindingDB50102221
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition-1.0 %PMID11459668ChEMBL

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