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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

NameCHEMBL59413
Molecular formulaC22H25FN2O2S
IUPAC name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(R)-phenylsulfinyl]methyl]piperidin-4-ol
Molecular weight400.512
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL9539955
4-(oxidosulfanyl)benzenemethyl-1-[2-(5-fluoro-1H-indol-3-yl)-ethyl]-piperidin-4-ol
1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulfinyl)benzene-piperidin-4-ol
BDBM50097909
Inchi KeyVWIWOPFCNLLGBQ-MUUNZHRXSA-N
Inchi IDInChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1
PubChem CID44301859
ChEMBLCHEMBL59413
IUPHARN/A
BindingDB50097909
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki39810.7 nMBioorg. Med. Chem. Lett., (1994) 4:16:1951ChEMBL
Ki39811.0 nMN/ABindingDB

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