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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

NameMLS001110184
Molecular formulaC26H31N5O5S
IUPAC nameN-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
Molecular weight525.624
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.0
SynonymsHMS2933A21
N-((Z)-2-{1-[(dimethylamino)sulfonyl]-1H-indol-3-yl}-1-{[(2-morpholin-4-ylethyl)amino]carbonyl}vinyl)benzamide
STL445176
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CHEMBL1726252
[ Show all ]
Inchi KeyAAFGQGUAUKKREU-NKFKGCMQSA-N
Inchi IDInChI=1S/C26H31N5O5S/c1-29(2)37(34,35)31-19-21(22-10-6-7-11-24(22)31)18-23(28-25(32)20-8-4-3-5-9-20)26(33)27-12-13-30-14-16-36-17-15-30/h3-11,18-19H,12-17H2,1-2H3,(H,27,33)(H,28,32)/b23-18-
PubChem CID17038160
ChEMBLCHEMBL1726252
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Potency22387.2 nMPubChem BioAssay data setChEMBL

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