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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	CHEMBL3680200
Molecular formula	C30H31ClF2N4O3
IUPAC name	(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(5-fluoropyridin-2-yl)piperidine-4-carbonyl]-4-methylpyrrolidin-3-yl]-N-methylcarbamate
Molecular weight	569.05
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.7
Synonyms	BDBM109733 SCHEMBL10277025 US8618303, 23
Inchi Key	BVVANLMQPZWSDC-VIZCGCQYSA-N
Inchi ID	InChI=1S/C30H31ClF2N4O3/c1-30(21-3-5-22(31)6-4-21)19-37(18-26(30)35(2)29(39)40-25-10-7-23(32)8-11-25)28(38)20-13-15-36(16-14-20)27-12-9-24(33)17-34-27/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
PubChem CID	57414761
ChEMBL	CHEMBL3680200
IUPHAR	N/A
BindingDB	109733
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	43.5 nM	, None	BindingDB,ChEMBL

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