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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	CHEMBL1760207
Molecular formula	C23H24ClN3O2
IUPAC name	[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Molecular weight	409.914
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50341082 (5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
Inchi Key	BWZWPNQYJPXCPE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24ClN3O2/c1-16-19(15-20(25-16)17-7-9-18(24)10-8-17)23(28)27-13-11-26(12-14-27)21-5-3-4-6-22(21)29-2/h3-10,15,25H,11-14H2,1-2H3
PubChem CID	54584865
ChEMBL	CHEMBL1760207
IUPHAR	N/A
BindingDB	50341082
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	280.0 nM	PMID21376585	BindingDB,ChEMBL
Ki	350.0 nM	PMID21376585	BindingDB,ChEMBL

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