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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	CHEMBL1760338
Molecular formula	C21H21ClN4O2
IUPAC name	[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Molecular weight	396.875
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	MolPort-008-325-038 BDBM50341075 [5-(4-chlorophenyl)-1H-pyrazol-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone (3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone MCULE-2901872332 AKOS001920631 STK879677 1-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-4-(2-methoxyphenyl)piperazine MolPort-007-747-826 AKOS005636717 ZINC14049704 [ Show all ]
Inchi Key	DEYOMMQLWMIBRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-19(20)25-10-12-26(13-11-25)21(27)18-14-17(23-24-18)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24)
PubChem CID	20906619
ChEMBL	CHEMBL1760338
IUPHAR	N/A
BindingDB	50341075
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	130.0 nM	PMID21376585	BindingDB,ChEMBL
Ki	250.0 nM	PMID21376585	BindingDB,ChEMBL

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