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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	CHEMBL1682640
Molecular formula	C32H33Cl4N3O2
IUPAC name	2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
Molecular weight	633.435
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.8
Synonyms	rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(2,4-dichlorobenzyl)-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide BDBM50337438
Inchi Key	BEGFCGPNILKSKQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)12-14-39(15-13-31)20-25-18-32(25,24-9-11-27(34)29(36)16-24)30(41)38(2)19-22-8-10-26(33)17-28(22)35/h3-11,16-17,25H,12-15,18-20H2,1-2H3,(H,37,40)
PubChem CID	53323699
ChEMBL	CHEMBL1682640
IUPHAR	N/A
BindingDB	50337438
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	16.0 nM	PMID21292483	BindingDB,ChEMBL

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