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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	SCHEMBL6837152
Molecular formula	C29H29Cl2F3N4O2
IUPAC name	[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone
Molecular weight	593.472
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	6.5
Synonyms	BDBM100783 US8507535, 22 CHEMBL3648216
Inchi Key	AXZRKMLGUZQSDI-UFHPHHKVSA-N
Inchi ID	InChI=1S/C29H29Cl2F3N4O2/c1-28(18-40-26-9-7-23(31)15-36-26)17-38(16-24(28)19-2-5-22(30)6-3-19)27(39)20-10-12-37(13-11-20)25-8-4-21(14-35-25)29(32,33)34/h2-9,14-15,20,24H,10-13,16-18H2,1H3/t24-,28-/m1/s1
PubChem CID	56592115
ChEMBL	CHEMBL3648216
IUPHAR	N/A
BindingDB	100783
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	27.2 nM	, None	BindingDB,ChEMBL

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