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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

NameBDBM50269972
Molecular formulaC102H146N26O23S
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-6-[[2-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-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 weight2136.51
Hydrogen bond acceptor28
Hydrogen bond donor26
XlogP-2.7
SynonymsAla-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Lys-Trp-Fly
Inchi KeyFPBKUJNEPWZHDM-ZDFJWDELSA-N
Inchi IDInChI=1S/C102H146N26O23S/c1-11-54(6)85(128-96(145)73(35-38-82(133)134)119-89(138)57(9)116-100(149)84(53(4)5)127-87(136)55(7)104)101(150)123-72(34-37-81(106)132)94(143)124-75(44-52(2)3)97(146)122-74(39-43-152-10)95(144)126-77(46-59-50-110-51-114-59)99(148)121-71(33-36-80(105)131)93(142)120-69(28-18-21-42-112-102(108)109)91(140)115-56(8)88(137)118-70(27-16-19-40-103)92(141)125-76(45-58-49-113-67-25-15-14-22-62(58)67)98(147)117-68(86(107)135)26-17-20-41-111-90(139)64-24-13-12-23-63(64)83-65-31-29-60(129)47-78(65)151-79-48-61(130)30-32-66(79)83/h12-15,22-25,29-32,47-57,68-77,84-85,113,129H,11,16-21,26-28,33-46,103-104H2,1-10H3,(H2,105,131)(H2,106,132)(H2,107,135)(H,110,114)(H,111,139)(H,115,140)(H,116,149)(H,117,147)(H,118,137)(H,119,138)(H,120,142)(H,121,148)(H,122,146)(H,123,150)(H,124,143)(H,125,141)(H,126,144)(H,127,136)(H,128,145)(H,133,134)(H4,108,109,112)/t54-,55-,56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/m0/s1
PubChem CID91935161
ChEMBLCHEMBL505612
IUPHARN/A
BindingDB50269972
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
EC50251.0 nMPMID17428923BindingDB,ChEMBL

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