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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.
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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	CHEMBL3608688
Molecular formula	C16H12F4N6OS
IUPAC name	(4-fluorophenyl)-[(8R)-8-methyl-3-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Molecular weight	412.367
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	2.1
Synonyms	BDBM50112180 SCHEMBL16143835
Inchi Key	RLKUYZTZCXMODG-MRVPVSSYSA-N
Inchi ID	InChI=1S/C16H12F4N6OS/c1-8-11-22-23-12(13-21-15(24-28-13)16(18,19)20)26(11)7-6-25(8)14(27)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3/t8-/m1/s1
PubChem CID	86272102
ChEMBL	CHEMBL3608688
IUPHAR	N/A
BindingDB	50112180
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	85.0 nM	PMID26191358	BindingDB,ChEMBL

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