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GPCR

NameNeuromedin-K receptor
SpeciesRattus norvegicus (Rat)
GeneTacr3
SynonymTac3r
SP-N receptor
Neurokinin B receptor
neuromedin K receptor
Tachykinin receptor 3
[ Show all ]
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMASVPRGENWTDGTVEVGTHTGNLSSALGVTEWLALQAGNFSSALGLPATTQAPSQVRANLTNQFVQPSWRIALWSLAYGLVVAVAVFGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASVAAFNTLINFIYGLHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGPKQHFTYHIIVIILVYCFPLLIMGVTYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVVTFAICWLPYHVYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIQVSSYDELELKTTRFHPTRQSSLYTVSRMESVTVLFDPNDGDPTKSSRKKRAVPRDPSANGCSHRGSKSASTTSSFISSPYTSVDEYS
UniProtP16177
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3154
IUPHAR362
DrugBankN/A

Ligand

NameSenktide
Molecular formulaC40H55N7O11S
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
Molecular weight841.978
Hydrogen bond acceptor12
Hydrogen bond donor8
XlogP1.1
SynonymsCHEMBL106124
Succinyl-6-asp-8-Me-phe-substance P (6-11)
Substance P (6-11), succinyl-asp(6)-Me-phe(8)-
Substance P (6-11), succinyl-aspartyl(6)-methylphenylalanine(8)-
(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[(4-hydroxy-4-oxobutanoyl)amino]-4-o
[ Show all ]
Inchi KeyHMHYXLVEFVGOPM-QKUYTOGTSA-N
Inchi IDInChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
PubChem CID108147
ChEMBLCHEMBL106124
IUPHAR2127
BindingDB50052524
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
EC500.023 nMMedChemComm, (2015) 6:3:469ChEMBL
EC500.5 nMPMID8759639BindingDB,ChEMBL
EC501.5 - 12.0 nMPMID2426259IUPHAR
EC5013.0 nMPMID25247671BindingDB,ChEMBL
IC5011.0 nMPMID8648606BindingDB,ChEMBL
Kd0.9 - 12.0 nMPMID2426259, PMID1312036IUPHAR

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