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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

NameCHEMBL276294
Molecular formulaC60H100N18O15S2
IUPAC name(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular weight1377.69
Hydrogen bond acceptor19
Hydrogen bond donor15
XlogP-4.3
SynonymsBDBM50030153
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(SO2-Me)-Gly-Leu-Met
Inchi KeyKLJJOCMENGMKPJ-LLTFUCSQSA-N
Inchi IDInChI=1S/C60H100N18O15S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-94-5)70-47(81)33-69-56(89)48(60(3,4)95(6,92)93)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
PubChem CID44288070
ChEMBLCHEMBL276294
IUPHARN/A
BindingDB50030153
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
IC50190.0 nMPMID7515443BindingDB,ChEMBL

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