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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	CHEMBL43912
Molecular formula	C29H25Cl2N3O2
IUPAC name	N-[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]quinoline-4-carboxamide
Molecular weight	518.438
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	BDBM50287399 IDKSGROGHXKFIS-BJKOFHAPSA-N (2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)-N-(4-quinolylcarbonyl)-4-piperidinamine Quinoline-4-carboxylic acid [(2R,4S)-2-benzyl-1-(3,5-dichloro-benzoyl)-piperidin-4-yl]-amide (2R,4S)-2-benzyl-1-(3 ,5-dichlorobenzoyl)-N-(4-quinolylcarbonyl)-4-piperidinamine SCHEMBL8821413 [ Show all ]
Inchi Key	IDKSGROGHXKFIS-BJKOFHAPSA-N
Inchi ID	InChI=1S/C29H25Cl2N3O2/c30-21-15-20(16-22(31)17-21)29(36)34-13-11-23(18-24(34)14-19-6-2-1-3-7-19)33-28(35)26-10-12-32-27-9-5-4-8-25(26)27/h1-10,12,15-17,23-24H,11,13-14,18H2,(H,33,35)/t23-,24+/m0/s1
PubChem CID	44288896
ChEMBL	CHEMBL43912
IUPHAR	N/A
BindingDB	50287399
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
IC50	3300.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:14:1623	BindingDB,ChEMBL

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