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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Neuromedin-K receptor
Species	Homo sapiens (Human)
Gene	TACR3
Synonym	SP-N receptor Tac3r Nmkr NKR NK3 receptor NK-3R NK-3 receptor neuromedin K receptor neurokinin beta receptor Neurokinin B receptor Tachykinin receptor 3 [ Show all ]
Disease	Schizophrenia Schizophrenia; Schizoaffective disorders Psychotic disorders Psychiatric disorder Irritable bowel syndrome Depression Central nervous system disease Asthma [ Show all ]
Length	465
Amino acid sequence	MATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
UniProt	P29371
Protein Data Bank	N/A
GPCR-HGmod model	P29371
3D structure model	This predicted structure model is from GPCR-EXP P29371.
BioLiP	N/A
Therapeutic Target Database	T29683
ChEMBL	CHEMBL4429
IUPHAR	362
DrugBank	BE0002371

Ligand

Name	CHEMBL375640
Molecular formula	C25H20FN3O4
IUPAC name	methyl N-[[2-(3-fluorophenyl)-3-methoxyquinoline-4-carbonyl]amino]-N-phenylcarbamate
Molecular weight	445.45
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50194598 N''-[2-(3-fluoro-phenyl)-3-methoxy-quinoline-4-carbonyl]-N-phenyl-hydrazinecarboxylic acid methyl ester
Inchi Key	BBMXKKUPRMCNMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H20FN3O4/c1-32-23-21(24(30)28-29(25(31)33-2)18-11-4-3-5-12-18)19-13-6-7-14-20(19)27-22(23)16-9-8-10-17(26)15-16/h3-15H,1-2H3,(H,28,30)
PubChem CID	44419718
ChEMBL	CHEMBL375640
IUPHAR	N/A
BindingDB	50194598
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	22.0 nM	PMID16950620	BindingDB,ChEMBL

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