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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

NameCHEMBL2370069
Molecular formulaC50H71N13O11
IUPAC nametert-butyl N-[(2S)-5-[[amino(nitramido)methylidene]amino]-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Molecular weight1030.2
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP3.5
SynonymsN/A
Inchi KeyDBHBRBOJSGVFRU-QOWRJIHNSA-N
Inchi IDInChI=1S/C50H71N13O11/c1-6-7-19-35(41(51)64)56-45(68)39-22-14-25-61(39)47(70)40-23-15-26-62(40)46(69)38(27-31-16-9-8-10-17-31)58-44(67)37(28-32-29-54-34-20-12-11-18-33(32)34)57-42(65)30(2)55-43(66)36(59-49(71)74-50(3,4)5)21-13-24-53-48(52)60-63(72)73/h8-12,16-18,20,29-30,35-40,54H,6-7,13-15,19,21-28H2,1-5H3,(H2,51,64)(H,55,66)(H,56,68)(H,57,65)(H,58,67)(H,59,71)(H3,52,53,60)/t30-,35-,36-,37+,38-,39-,40+/m0/s1
PubChem CID14991669
ChEMBLCHEMBL2370069
IUPHARN/A
BindingDBN/A
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
pKB5.2 -PMID1321907ChEMBL

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