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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	CHEMBL3648215
Molecular formula	C24H20Cl2N4O2
IUPAC name	5-[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidine-1-carbonyl]pyridine-2-carbonitrile
Molecular weight	467.35
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	BDBM100782 SCHEMBL10026141 US8507535, 21
Inchi Key	AHSXMAQCWOVQLS-ZJSXRUAMSA-N
Inchi ID	InChI=1S/C24H20Cl2N4O2/c1-24(15-32-22-9-7-19(26)12-29-22)14-30(13-21(24)16-2-5-18(25)6-3-16)23(31)17-4-8-20(10-27)28-11-17/h2-9,11-12,21H,13-15H2,1H3/t21-,24-/m1/s1
PubChem CID	58046459
ChEMBL	CHEMBL3648215
IUPHAR	N/A
BindingDB	100782
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	39.0 nM	, None	BindingDB,ChEMBL

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