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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

NameAC1MVU2C
Molecular formulaC19H27ClFN3O3S
IUPAC nameN-[(2-chloro-4-fluorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
Molecular weight431.951
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsUNM000000890601
MLS001031087
N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CHEMBL1874298
ZINC3060408
[ Show all ]
Inchi KeyAFDLYVOVJSFPIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27ClFN3O3S/c1-14-4-8-23(9-5-14)28(26,27)24-10-6-15(7-11-24)19(25)22-13-16-2-3-17(21)12-18(16)20/h2-3,12,14-15H,4-11,13H2,1H3,(H,22,25)
PubChem CID3688968
ChEMBLCHEMBL1874298
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
Potency44668.4 nMPubChem BioAssay data setChEMBL

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