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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL120790
Molecular formula	C31H31N3O3
IUPAC name	benzyl 3-[[(3-benzyl-2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]indole-1-carboxylate
Molecular weight	493.607
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.9
Synonyms	BDBM50289295 3-{[(3-Benzyl-2-aza-bicyclo[2.2.1]heptane-2-carbonyl)-amino]-methyl}-indole-1-carboxylic acid benzyl ester
Inchi Key	HBORZUGNIHEQPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H31N3O3/c35-30(34-26-16-15-24(18-26)29(34)17-22-9-3-1-4-10-22)32-19-25-20-33(28-14-8-7-13-27(25)28)31(36)37-21-23-11-5-2-6-12-23/h1-14,20,24,26,29H,15-19,21H2,(H,32,35)
PubChem CID	44346117
ChEMBL	CHEMBL120790
IUPHAR	N/A
BindingDB	50289295
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10000.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:1:31	BindingDB,ChEMBL

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