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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

NameMLS002159455
Molecular formulaC21H17ClF3N3O3
IUPAC nameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
Molecular weight451.83
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsAKOS033961356
Z26332629
MCULE-2800727369
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[N-methyl-2-(quinolin-8-yloxy)acetamido]acetamide
ZINC13102705
[ Show all ]
Inchi KeyAETGNWWYNMYYKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17ClF3N3O3/c1-28(11-18(29)27-14-7-8-16(22)15(10-14)21(23,24)25)19(30)12-31-17-6-2-4-13-5-3-9-26-20(13)17/h2-10H,11-12H2,1H3,(H,27,29)
PubChem CID16287564
ChEMBLCHEMBL2135739
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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