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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

NameCHEMBL1760216
Molecular formulaC20H21N5O2
IUPAC name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
Molecular weight363.421
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsAKOS021665318
1-(2-methoxyphenyl)-4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbonyl]piperazine
ZINC71318214
BDBM50341112
MCULE-2941301707
[ Show all ]
Inchi KeyAAANLCCSPMLHMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O2/c1-27-19-5-3-2-4-18(19)24-10-12-25(13-11-24)20(26)17-14-16(22-23-17)15-6-8-21-9-7-15/h2-9,14H,10-13H2,1H3,(H,22,23)
PubChem CID53087371
ChEMBLCHEMBL1760216
IUPHARN/A
BindingDB50341112
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507200.0 nMPMID21376585BindingDB,ChEMBL

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