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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	CHEMBL3288163
Molecular formula	C34H39Cl3FN5O4
IUPAC name	(2R)-N-[(1S)-2-(2-aminoethylamino)-2-oxo-1-phenylethyl]-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-methylbutanamide;hydrochloride
Molecular weight	707.065
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	None
Synonyms	BDBM50020096
Inchi Key	AAOQXJXMHFUVEW-PSDCGHEKSA-N
Inchi ID	InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1
PubChem CID	90644623
ChEMBL	CHEMBL3288163
IUPHAR	N/A
BindingDB	50020096
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	39.81 nM	PMID24900878	ChEMBL
Ki	40.0 nM	PMID24900878	BindingDB

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