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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

NameMLS003120552
Molecular formulaC22H13F4NO2
IUPAC name4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-1-benzofuran-7-carboxamide
Molecular weight399.345
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
Synonyms4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-1-benzofuran-7-carboxamide
MLS004802422
BDBM93939
cid_49778249
4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-benzofurancarboxamide
[ Show all ]
Inchi KeyACPYWUVVAGNCOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H13F4NO2/c23-17-5-1-12(9-19(17)25)11-27-22(28)16-4-3-14(15-7-8-29-21(15)16)13-2-6-18(24)20(26)10-13/h1-10H,11H2,(H,27,28)
PubChem CID49778249
ChEMBLCHEMBL2131227
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency15848.9 nMPubChem BioAssay data setChEMBL

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