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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	CHEMBL3680211
Molecular formula	C31H31ClFN3O4
IUPAC name	(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-4-methyl-1-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrolidin-3-yl]-N-methylcarbamate
Molecular weight	564.054
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.5
Synonyms	SCHEMBL10277082 US8618303, 36 BDBM109746
Inchi Key	AMXZZYNDDNSEEE-JOMNFKBKSA-N
Inchi ID	InChI=1S/C31H31ClFN3O4/c1-31(22-8-10-23(32)11-9-22)20-35(19-27(31)34(2)30(39)40-26-16-12-24(33)13-17-26)29(38)21-6-14-25(15-7-21)36-18-4-3-5-28(36)37/h6-17,27H,3-5,18-20H2,1-2H3/t27-,31+/m1/s1
PubChem CID	57415121
ChEMBL	CHEMBL3680211
IUPHAR	N/A
BindingDB	109746
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	997.3 nM	, None	BindingDB,ChEMBL

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