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GPCR

NameParathyroid hormone/parathyroid hormone-related peptide receptor
SpeciesRattus norvegicus (Rat)
GenePth1r
SynonymParathyroid hormone 1 receptor
PPR
PTH/PTHr receptor
PTH/PTHrP type I receptor
PTH1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length591
Amino acid sequenceMGAARIAPSLALLLCCPVLSSAYALVDADDVFTKEEQIFLLHRAQAQCDKLLKEVLHTAANIMESDKGWTPASTSGKPRKEKASGKFYPESKENKDVPTGSRRRGRPCLPEWDNIVCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWEVVPGHNRTWANYSECLKFMTNETREREVFDRLGMIYTVGYSMSLASLTVAVLILAYFRRLHCTRNYIHMHMFLSFMLRAASIFVKDAVLYSGFTLDEAERLTEEELHIIAQVPPPPAAAAVGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTIFGWGLPAVFVAVWVGVRATLANTGCWDLSSGHKKWIIQVPILASVVLNFILFINIIRVLATKLRETNAGRCDTRQQYRKLLRSTLVLVPLFGVHYTVFMALPYTEVSGTLWQIQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIRKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRAGLSLPLSPRLPPATTNGHSQLPGHAKPGAPATETETLPVTMAVPKDDGFLNGSCSGLDEEASGSARPPPLLQEEWETVM
UniProtP25961
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL6038
IUPHARN/A
DrugBankN/A

Ligand

NameCID 44584919
Molecular formulaC86H135N25O20
IUPAC name(4S)-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-carbamimidamido-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight1839.18
Hydrogen bond acceptor24
Hydrogen bond donor26
XlogP-3.0
SynonymsN/A
Inchi KeyUPWWBYZXEMNPPN-AZNRRKNOSA-N
Inchi IDInChI=1S/C86H135N25O20/c1-11-13-21-56(103-81(127)63(37-44(3)4)107-79(125)60(30-33-67(90)114)105-85(131)70(46(7)12-2)111-80(126)61(31-34-68(115)116)101-74(120)49(10)99-84(130)69(45(5)6)110-72(118)47(8)88)76(122)109-65(40-52-42-94-43-97-52)83(129)104-59(29-32-66(89)113)78(124)102-57(24-17-19-36-95-86(92)93)75(121)98-48(9)73(119)100-58(23-16-18-35-87)77(123)108-64(39-51-41-96-55-22-15-14-20-54(51)55)82(128)106-62(71(91)117)38-50-25-27-53(112)28-26-50/h14-15,20,22,25-28,41-49,56-65,69-70,96,112H,11-13,16-19,21,23-24,29-40,87-88H2,1-10H3,(H2,89,113)(H2,90,114)(H2,91,117)(H,94,97)(H,98,121)(H,99,130)(H,100,119)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,131)(H,106,128)(H,107,125)(H,108,123)(H,109,122)(H,110,118)(H,111,126)(H,115,116)(H4,92,93,95)/t46-,47-,48-,49-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,69-,70-/m0/s1
PubChem CID44584919
ChEMBLCHEMBL499651
IUPHARN/A
BindingDB50269973
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50129.0 nMPMID17428923BindingDB,ChEMBL

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