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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

NameMLS000037230
Molecular formulaC16H16N2O5S2
IUPAC nameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Molecular weight380.433
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.2
SynonymsSMR000036380
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide
AC1LD7D6
MLS002582879
[ Show all ]
Inchi KeyAEGKXBLYXZRJOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16N2O5S2/c19-15(17-7-9-24-11-12-4-3-8-23-12)10-18-16(20)13-5-1-2-6-14(13)25(18,21)22/h1-6,8H,7,9-11H2,(H,17,19)
PubChem CID662420
ChEMBLCHEMBL1347805
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
Potency35481.3 nMPubChem BioAssay data setChEMBL

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