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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

NameN-(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)-N-(2,4-dichlorobenzyl)amine
Molecular formulaC19H16Cl3N3OS
IUPAC name6-[(4-chlorophenyl)sulfinylmethyl]-N-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidin-4-amine
Molecular weight440.767
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
Synonyms338960-33-1
5L-309S
6-[(4-chlorobenzenesulfinyl)methyl]-N-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidin-4-amine
6-[(4-chlorophenyl)sulfinylmethyl]-N-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidin-4-amine
AC1LRYDI
[ Show all ]
Inchi KeyAGAYXIREIJZWSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16Cl3N3OS/c1-12-24-16(11-27(26)17-6-4-14(20)5-7-17)9-19(25-12)23-10-13-2-3-15(21)8-18(13)22/h2-9H,10-11H2,1H3,(H,23,24,25)
PubChem CID1479456
ChEMBLCHEMBL1583227
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
Potency100000.0 nMPubChem BioAssay data setChEMBL

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