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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

NameAC1MTPJP
Molecular formulaC32H35N3O6S2
IUPAC nameethyl 2-[2-[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Molecular weight621.767
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.1
Synonymsethyl 2-({2-[(1-{2-[(3,4-dimethoxybenzoyl)amino]ethyl}-1H-indol-3-yl)thio]propanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
AKOS001764653
HMS1810P18
CHEMBL1370487
NCGC00165063-01
[ Show all ]
Inchi KeyABOQNHQAUAQISW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35N3O6S2/c1-5-41-32(38)28-22-10-8-12-26(22)43-31(28)34-29(36)19(2)42-27-18-35(23-11-7-6-9-21(23)27)16-15-33-30(37)20-13-14-24(39-3)25(17-20)40-4/h6-7,9,11,13-14,17-19H,5,8,10,12,15-16H2,1-4H3,(H,33,37)(H,34,36)
PubChem CID3653523
ChEMBLCHEMBL1370487
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency22387.2 nMPubChem BioAssay data setChEMBL

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