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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

NameCHEMBL346633
Molecular formulaC28H32N2
IUPAC name(2R,3R)-2-benzhydryl-N-[(2-methylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight396.578
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50280469
[(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-methyl-benzyl)-amine
Inchi KeyKHWRHXNNDGPGGG-VSGBNLITSA-N
Inchi IDInChI=1S/C28H32N2/c1-21-10-8-9-15-25(21)20-29-27-24-16-18-30(19-17-24)28(27)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26-29H,16-20H2,1H3/t27-,28-/m1/s1
PubChem CID15037919
ChEMBLCHEMBL346633
IUPHARN/A
BindingDB50280469
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50100000.0 nMBioorg. Med. Chem. Lett., (1992) 2:6:559ChEMBL

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