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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	CHEMBL1760338
Molecular formula	C21H21ClN4O2
IUPAC name	[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Molecular weight	396.875
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	[5-(4-chlorophenyl)-1H-pyrazol-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone BDBM50341075 MCULE-2901872332 (3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone STK879677 AKOS001920631 MolPort-007-747-826 1-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-4-(2-methoxyphenyl)piperazine ZINC14049704 AKOS005636717 MolPort-008-325-038 [ Show all ]
Inchi Key	DEYOMMQLWMIBRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-19(20)25-10-12-26(13-11-25)21(27)18-14-17(23-24-18)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24)
PubChem CID	20906619
ChEMBL	CHEMBL1760338
IUPHAR	N/A
BindingDB	50341075
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	250.0 nM	PMID21376585	BindingDB,ChEMBL

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