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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	SCHEMBL1989445
Molecular formula	C31H37ClFN3O5
IUPAC name	(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight	586.101
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.1
Synonyms	US9346786, 97 CHEMBL3946816 BDBM233293
Inchi Key	AUUPZFZZCRPIRL-WUFINQPMSA-N
Inchi ID	InChI=1S/C31H37ClFN3O5/c1-2-36(31(39)41-26-9-7-25(33)8-10-26)28-20-35(19-27(28)21-3-5-24(32)6-4-21)30(38)22-11-15-34(16-12-22)29(37)23-13-17-40-18-14-23/h3-10,22-23,27-28H,2,11-20H2,1H3/t27-,28+/m0/s1
PubChem CID	58312644
ChEMBL	CHEMBL3946816
IUPHAR	N/A
BindingDB	233293
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.4 nM	, None	BindingDB,ChEMBL

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