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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1760331
Molecular formula	C21H20Cl2N4O2
IUPAC name	[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
Molecular weight	431.317
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50341097 (4-(5-chloro-2-methoxyphenyl)piperazin-1-yl)(3-(4-chlorophenyl)-1H-pyrazol-5-yl)methanone
Inchi Key	AJUBYEHJFBHLLN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20Cl2N4O2/c1-29-20-7-6-16(23)12-19(20)26-8-10-27(11-9-26)21(28)18-13-17(24-25-18)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,24,25)
PubChem CID	54580975
ChEMBL	CHEMBL1760331
IUPHAR	N/A
BindingDB	50341097
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	370.0 nM	PMID21376585	BindingDB,ChEMBL
Ki	400.0 nM	PMID21376585	BindingDB,ChEMBL

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