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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.
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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	CHEMBL1760214
Molecular formula	C20H21N5O2
IUPAC name	[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
Molecular weight	363.421
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.2
Synonyms	BDBM50341110 (4-(2-methoxyphenyl)piperazin-1-yl)(3-(pyridin-2-yl)-1H-pyrazol-5-yl)methanone
Inchi Key	ANBJLHPYTDNGSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N5O2/c1-27-19-8-3-2-7-18(19)24-10-12-25(13-11-24)20(26)17-14-16(22-23-17)15-6-4-5-9-21-15/h2-9,14H,10-13H2,1H3,(H,22,23)
PubChem CID	54580930
ChEMBL	CHEMBL1760214
IUPHAR	N/A
BindingDB	50341110
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	3100.0 nM	PMID21376585	BindingDB,ChEMBL
Ki	3600.0 nM	PMID21376585	BindingDB,ChEMBL

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