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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

NameCHEMBL219162
Molecular formulaC25H21N3O4
IUPAC namemethyl N-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
Molecular weight427.46
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
Synonymscompound 2g [PMID: 16950620]
SCHEMBL3959275
JLSTVOPSMZBZSR-UHFFFAOYSA-N
N''-(3-methoxy-2-phenyl-quinoline-4-carbonyl)-N-phenyl-hydrazinecarboxylic acid methyl ester
D0W3XD
[ Show all ]
Inchi KeyJLSTVOPSMZBZSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21N3O4/c1-31-23-21(24(29)27-28(25(30)32-2)18-13-7-4-8-14-18)19-15-9-10-16-20(19)26-22(23)17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)
PubChem CID16049828
ChEMBLCHEMBL219162
IUPHAR2129
BindingDB50194575
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.98107 - 12.5893 nMPMID16950620IUPHAR
IC504.5 nMPMID16950620BindingDB,ChEMBL
IC508.8 nMPMID16950620BindingDB,ChEMBL
IC5028.0 nMPMID16950620BindingDB,ChEMBL
IC5030.0 nMPMID16950620BindingDB,ChEMBL
Kb11.0 nMPMID16950620ChEMBL
Occ9030.0 mg kg-1PMID16950620ChEMBL

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