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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	SCHEMBL1990051
Molecular formula	C33H36ClFN4O4
IUPAC name	(4-fluorophenyl) N-[(3S,4R)-1-[1-(5-acetylpyridin-2-yl)piperidine-4-carbonyl]-4-(4-chlorophenyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
Molecular weight	607.123
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.5
Synonyms	US9346786, 24 CHEMBL3942941 BDBM233220
Inchi Key	BWAXAOWUFKRXEW-XZWHSSHBSA-N
Inchi ID	InChI=1S/C33H36ClFN4O4/c1-21(2)39(33(42)43-28-11-9-27(35)10-12-28)30-20-38(19-29(30)23-4-7-26(34)8-5-23)32(41)24-14-16-37(17-15-24)31-13-6-25(18-36-31)22(3)40/h4-13,18,21,24,29-30H,14-17,19-20H2,1-3H3/t29-,30+/m0/s1
PubChem CID	53245908
ChEMBL	CHEMBL3942941
IUPHAR	N/A
BindingDB	233220
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	62.0 nM	, None	BindingDB,ChEMBL

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