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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

NameCHEMBL221077
Molecular formulaC30H30N4O3
IUPAC namemethyl N-phenyl-N-[[2-phenyl-3-(piperidin-1-ylmethyl)quinoline-4-carbonyl]amino]carbamate
Molecular weight494.595
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50194569
N-phenyl-N''-(2-phenyl-3-piperidin-1-ylmethyl-quinoline-4-carbonyl)-hydrazinecarboxylic acid methyl ester
Inchi KeyAHIYAFPZNJJMMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N4O3/c1-37-30(36)34(23-15-7-3-8-16-23)32-29(35)27-24-17-9-10-18-26(24)31-28(22-13-5-2-6-14-22)25(27)21-33-19-11-4-12-20-33/h2-3,5-10,13-18H,4,11-12,19-21H2,1H3,(H,32,35)
PubChem CID44419059
ChEMBLCHEMBL221077
IUPHARN/A
BindingDB50194569
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50160.0 nMPMID16950617BindingDB,ChEMBL

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