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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	Rattus norvegicus (Rat)
Gene	Tacr3
Synonym	Tac3r SP-N receptor Nmkr NKR NK3 receptor NK-3R NK-3 receptor neuromedin K receptor neurokinin beta receptor Neurokinin B receptor Tachykinin receptor 3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	452
Amino acid sequence	MASVPRGENWTDGTVEVGTHTGNLSSALGVTEWLALQAGNFSSALGLPATTQAPSQVRANLTNQFVQPSWRIALWSLAYGLVVAVAVFGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASVAAFNTLINFIYGLHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGPKQHFTYHIIVIILVYCFPLLIMGVTYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVVTFAICWLPYHVYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIQVSSYDELELKTTRFHPTRQSSLYTVSRMESVTVLFDPNDGDPTKSSRKKRAVPRDPSANGCSHRGSKSASTTSSFISSPYTSVDEYS
UniProt	P16177
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3154
IUPHAR	362
DrugBank	N/A

Ligand

Name	CHEMBL449347
Molecular formula	C28H31NO2
IUPAC name	(2R,3R)-2-benzhydryl-3-[(2-methoxyphenyl)methoxy]-1-azabicyclo[2.2.2]octane
Molecular weight	413.561
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM50280460 (2R,3R)-2-(2,2-Diphenyl-ethyl)-3-(2-methoxy-benzyloxy)-1-aza-bicyclo[2.2.2]octane
Inchi Key	QXSIOQKZUFLLLE-VSGBNLITSA-N
Inchi ID	InChI=1S/C28H31NO2/c1-30-25-15-9-8-14-24(25)20-31-28-23-16-18-29(19-17-23)27(28)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-28H,16-20H2,1H3/t27-,28-/m1/s1
PubChem CID	44368326
ChEMBL	CHEMBL449347
IUPHAR	N/A
BindingDB	50280460
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	100000.0 nM	Bioorg. Med. Chem. Lett., (1992) 2:6:559	ChEMBL

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