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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	CHEMBL1760210
Molecular formula	C22H24N4O2
IUPAC name	[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
Molecular weight	376.46
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	MolPort-008-329-339 BDBM50341106 [4-(2-methoxyphenyl)piperazin-1-yl][5-(4-methylphenyl)-1H-pyrazol-3-yl]methanone (4-(2-methoxyphenyl)piperazin-1-yl)(3-p-tolyl-1H-pyrazol-5-yl)methanone MCULE-5750810211 AKOS001828408 STK901328 1-(2-methoxyphenyl)-4-{[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonyl}piperazine MolPort-007-646-273 AKOS005650090 ZINC13366568 [ Show all ]
Inchi Key	BTMNKUAAPTWKSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)18-15-19(24-23-18)22(27)26-13-11-25(12-14-26)20-5-3-4-6-21(20)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,24)
PubChem CID	20864936
ChEMBL	CHEMBL1760210
IUPHAR	N/A
BindingDB	50341106
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	390.0 nM	PMID21376585	BindingDB,ChEMBL
Ki	510.0 nM	PMID21376585	BindingDB,ChEMBL

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