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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-acetyl-N-(6,7-dimethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Molecular formulaC14H15N3O5S
IUPAC nameN-acetyl-N-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
Molecular weight337.35
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP0.6
SynonymsCHEMBL1363306
N-acetyl-N-(6,7-dimethoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)acetamide
ZINC2328093
MCULE-9360539488
SR-01000296515
[ Show all ]
Inchi KeyAFQSFPZVMAYQGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15N3O5S/c1-7(18)16(8(2)19)17-13(20)9-5-11(21-3)12(22-4)6-10(9)15-14(17)23/h5-6H,1-4H3,(H,15,23)
PubChem CID1942812
ChEMBLCHEMBL1363306
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
Potency153.3 nMPubChem BioAssay data setChEMBL

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