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GPCR

NameNeuromedin-K receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR3
SynonymNeurokinin B receptor
NK-3 receptor
NK-3R
NKR
Tachykinin receptor 3
DiseaseN/A for non-human GPCRs
Length440
Amino acid sequenceMASPAGNLSAWPGWGWPPPAALRNLTSSPAPTASPSPAPSWTPSPRPGPAHPFLQPPWAVALWSLAYGAVVAVAVLGNLVVIWIVLAHKRMRTVTNSFLVNLAFADAAMAALNALVNFIYALHGEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATRIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGSRQHFTYHMIVIVLVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYQEQLKAKRKVVKMMIIVVVTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIHVSSYDELELKATRLHPMRQSSLYTVTRMESMSVVFDSNDGDSARSSHQKRGTTRDVGSNVCSRRNSKSTSTTASFVSSSHMSVEEGS
UniProtP30098
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3799
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL295680
Molecular formulaC20H20N2O2
IUPAC name4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
Molecular weight320.392
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50287926
4-Benzyl-2-(1H-indol-3-ylmethyl)-morpholin-3-one
Inchi KeyROOCUTOICRZTPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20N2O2/c23-20-19(12-16-13-21-18-9-5-4-8-17(16)18)24-11-10-22(20)14-15-6-2-1-3-7-15/h1-9,13,19,21H,10-12,14H2
PubChem CID10245452
ChEMBLCHEMBL295680
IUPHARN/A
BindingDB50287926
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>10.0 %Bioorg. Med. Chem. Lett., (1996) 6:2:165ChEMBL

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