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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

NameCHEMBL1395346
Molecular formulaC24H23FN2O4
IUPAC name1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)ethylamino]methyl]-6-methoxyindole-2-carboxylic acid
Molecular weight422.456
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.7
Synonyms1-(4-fluorobenzyl)-3-({[2-(2-furyl)ethyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
NCGC00122106-01
ZINC6794654
MCULE-8142552248
AKOS021664195
[ Show all ]
Inchi KeyABLQGYDUQFACHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23FN2O4/c1-30-19-8-9-20-21(14-26-11-10-18-3-2-12-31-18)23(24(28)29)27(22(20)13-19)15-16-4-6-17(25)7-5-16/h2-9,12-13,26H,10-11,14-15H2,1H3,(H,28,29)
PubChem CID16018693
ChEMBLCHEMBL1395346
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
Potency125892.0 nMPubChem BioAssay data setChEMBL

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