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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

NameAC1MDGAW
Molecular formulaC21H19F4N3OS
IUPAC name1-(4-fluorophenyl)-5-methyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]pyrazole-4-carboxamide
Molecular weight437.457
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
Synonyms1-(4-fluorophenyl)-5-methyl-N-(2-{[3-(trifluoromethyl)benzyl]sulfanyl}ethyl)-1H-pyrazole-4-carboxamide
MolPort-002-900-539
MCULE-7893706332
1-(4-fluorophenyl)-5-methyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]pyrazole-4-carboxamide
SMR000458201
[ Show all ]
Inchi KeyAFGMPHHDBDVNME-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19F4N3OS/c1-14-19(12-27-28(14)18-7-5-17(22)6-8-18)20(29)26-9-10-30-13-15-3-2-4-16(11-15)21(23,24)25/h2-8,11-12H,9-10,13H2,1H3,(H,26,29)
PubChem CID2810788
ChEMBLCHEMBL1507025
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
Potency15848.9 nMPubChem BioAssay data setChEMBL

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