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GPCR

NameNeuromedin-K receptor
SpeciesHomo sapiens (Human)
GeneTACR3
SynonymSP-N receptor
Tac3r
Nmkr
NKR
NK3 receptor
[ Show all ]
DiseaseSchizophrenia
Schizophrenia; Schizoaffective disorders
Psychotic disorders
Psychiatric disorder
Irritable bowel syndrome
[ Show all ]
Length465
Amino acid sequenceMATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
UniProtP29371
Protein Data BankN/A
GPCR-HGmod modelP29371
3D structure modelThis predicted structure model is from GPCR-EXP P29371.
BioLiPN/A
Therapeutic Target DatabaseT29683
ChEMBLCHEMBL4429
IUPHAR362
DrugBankBE0002371

Ligand

NameTalnetant
Molecular formulaC25H22N2O2
IUPAC name3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Molecular weight382.463
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.7
Synonyms(-)-(S)-N-(alpha-ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide
174636-32-9
4-Quinolinecarboxamide, 3-hydroxy-2-phenyl-N-(1-phenylpropyl)-, (S)-
BIAVGWDGIJKWRM-FQEVSTJZSA-N
FT-0700462
[ Show all ]
Inchi KeyBIAVGWDGIJKWRM-FQEVSTJZSA-N
Inchi IDInChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
PubChem CID5311424
ChEMBLCHEMBL10188
IUPHAR2132
BindingDB50051293
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502.4 nMPMID16950620BindingDB,ChEMBL
IC506.1 nMPMID21047106BindingDB,ChEMBL
IC508.4 nMPMID27298001BindingDB,ChEMBL
IC5016.6 nMPMID21047106BindingDB,ChEMBL
Kb3.0 nMPMID8691422ChEMBL
Kd5.75 nMPMID19817444, PMID22574973BindingDB
Kd5.754 nMPMID19817444, PMID22574973ChEMBL
Ki1.0 nMPMID9190866, PMID8691422BindingDB,ChEMBL
Ki1.0 - 39.8107 nMPMID9190866, PMID15265501, PMID11226387, PMID8691422IUPHAR
Ki1.4 nMPMID11356103BindingDB,ChEMBL
Ki1.995 nMPMID24374277ChEMBL
Ki2.0 nMPMID24374277BindingDB
Ki2.51 nMPMID21047106BindingDB
Ki3.0 nMPMID19817444BindingDB,ChEMBL
Ki3.6 nMPMID22574973BindingDB,ChEMBL
Ki7.4 nMPMID21376585BindingDB,ChEMBL
Ki7.9 nMPMID25738882BindingDB
Ki7.943 nMPMID25738882ChEMBL
Ki254.0 nMPMID10090788BindingDB,ChEMBL
Occ9075.0 mg kg-1PMID16950620ChEMBL

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