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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	CHEMBL1682666
Molecular formula	C33H37Cl2N3O2
IUPAC name	(1S,2R)-2-[[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]methyl]-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
Molecular weight	578.578
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.7
Synonyms	SCHEMBL2478814 (1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-(N-methylacetamido)-4-phenylpiperidin-1-yl)methyl)cyclopropanecarboxamide BDBM50337401
Inchi Key	BAOSJUSHNIOEOW-QPQHGXMVSA-N
Inchi ID	InChI=1S/C33H37Cl2N3O2/c1-24(39)37(3)32(26-12-8-5-9-13-26)16-18-38(19-17-32)23-28-21-33(28,27-14-15-29(34)30(35)20-27)31(40)36(2)22-25-10-6-4-7-11-25/h4-15,20,28H,16-19,21-23H2,1-3H3/t28-,33+/m0/s1
PubChem CID	11685645
ChEMBL	CHEMBL1682666
IUPHAR	N/A
BindingDB	50337401
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	4.2 nM	PMID21292483	BindingDB,ChEMBL

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