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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

NameCHEMBL450474
Molecular formulaC75H125N23O19
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-amino-3-(4-hydroxyphenyl)-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]-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 weight1652.97
Hydrogen bond acceptor23
Hydrogen bond donor23
XlogP-4.8
SynonymsAla-Val-Ala-Glu-lle-Gln-Leu-Nle-His-Gln-Har-Ala-Lys-Tyr
BDBM50269974
Inchi KeyNKWOLOWDSKGPAX-UYAQWRPDSA-N
Inchi IDInChI=1S/C75H125N23O19/c1-11-13-18-47(91-71(114)54(33-38(3)4)95-69(112)51(26-29-57(79)101)93-74(117)60(40(7)12-2)98-70(113)52(27-30-58(102)103)89-64(107)43(10)87-73(116)59(39(5)6)97-62(105)41(8)77)67(110)96-55(35-45-36-83-37-85-45)72(115)92-50(25-28-56(78)100)68(111)90-48(20-15-17-32-84-75(81)82)65(108)86-42(9)63(106)88-49(19-14-16-31-76)66(109)94-53(61(80)104)34-44-21-23-46(99)24-22-44/h21-24,36-43,47-55,59-60,99H,11-20,25-35,76-77H2,1-10H3,(H2,78,100)(H2,79,101)(H2,80,104)(H,83,85)(H,86,108)(H,87,116)(H,88,106)(H,89,107)(H,90,111)(H,91,114)(H,92,115)(H,93,117)(H,94,109)(H,95,112)(H,96,110)(H,97,105)(H,98,113)(H,102,103)(H4,81,82,84)/t40-,41-,42-,43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1
PubChem CID44584920
ChEMBLCHEMBL450474
IUPHARN/A
BindingDB50269974
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
EC50344.0 nMPMID17428923BindingDB,ChEMBL

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