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GPCR

NameParathyroid hormone/parathyroid hormone-related peptide receptor
SpeciesHomo sapiens (Human)
GenePTH1R
SynonymPTH1 receptor
PTHR
PTH/PTHrP type I receptor
PTH/PTHr receptor
PPR
[ Show all ]
DiseaseN/A
Length593
Amino acid sequenceMGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProtQ03431
Protein Data Bank6fj3, 3h3g, 3c4m
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 6fj3.
BioLiPBL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1793
IUPHARN/A
DrugBankN/A

Ligand

NameMLS000538897
Molecular formulaC13H15N3O5S
IUPAC name4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Molecular weight325.339
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.2
Synonyms1,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
BDBM65020
N-(5-nitro(1,3-thiazol-2-yl))(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl) carboxamide
4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
cid_2982735
[ Show all ]
Inchi KeyAANZMQGEJIZNKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15N3O5S/c1-11(2)12(3)4-5-13(11,21-9(12)18)8(17)15-10-14-6-7(22-10)16(19)20/h6H,4-5H2,1-3H3,(H,14,15,17)
PubChem CID2982735
ChEMBLCHEMBL1422860
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency50118.7 nMPubChem BioAssay data setChEMBL

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