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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

NameMLS001105136
Molecular formulaC20H29N3O4S
IUPAC name4-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
Molecular weight407.529
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.0
Synonyms4-{4-[(1S*,4S*)-2-azabicyclo[2.2.1]hept-2-ylcarbonyl]phenoxy}-N,N-dimethyl-1-piperidinesulfonamide
ZINC100917981
HMS2985P13
MolPort-005-079-611
MCULE-6863026789
[ Show all ]
Inchi KeyAHQPFGVMHJJOQX-RDJZCZTQSA-N
Inchi IDInChI=1S/C20H29N3O4S/c1-21(2)28(25,26)22-11-9-19(10-12-22)27-18-7-4-16(5-8-18)20(24)23-14-15-3-6-17(23)13-15/h4-5,7-8,15,17,19H,3,6,9-14H2,1-2H3/t15-,17-/m0/s1
PubChem CID24791674
ChEMBLCHEMBL1380154
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
Potency14125.4 nMPubChem BioAssay data setChEMBL

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