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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

Name6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile
Molecular formulaC16H14BrFN4O
IUPAC name6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
Molecular weight377.217
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
Synonyms6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
CHEMBL1464632
Oprea1_153657
AC1NX0CQ
HMS2677F24
[ Show all ]
Inchi KeyADYHLAWJIZNJMM-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14BrFN4O/c1-2-3-12-14-13(9-6-8(17)4-5-11(9)18)10(7-19)15(20)21-16(14)23-22-12/h4-6,13,21H,2-3,20H2,1H3
PubChem CID2962017
ChEMBLCHEMBL1464632
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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