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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	Mus musculus (Mouse)
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	MASVPTGENWTDGTAGVGSHTGNLSAALGITEWLALQAGNFSSALGLPVTSQAPSQVRANLTNQFVQPSWRIALWSLAYGLVVAVAVFGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASVAAFNTLVNFIYGVHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGPKQHFTYHIIVIILVYCFPLLIMGVTYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVVTFAICWLPYHVYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIQVSSYDELELKTTRFHPTRQSSLYTVSRMESVTVLYDPSEGDPAKSSRKKRAVPRDPSANGCSHREFKSASTTSSFISSPYTSVDEYS
UniProt	P47937
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	N/A
IUPHAR	362
DrugBank	N/A

Ligand

Name	BCTC
Molecular formula	C20H25ClN4O
IUPAC name	N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
Molecular weight	372.897
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide, BCTC DA-42544 MolPort-003-983-482 ZINC27109670 AKOS024457842 BN0674 GTPL2460 N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide. 393514-24-4 B7520 CTK8F0011 MCULE-6176078265 SCHEMBL1269620 4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide BCTC, >=98% (HPLC) DTXSID90432997 n-(4-t-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide AZ0001-0587 CHEMBL441472 HY-19960 NCGC00370959-01 4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide BCP19629 D0P7VQ MFCD08690556 TRA0012037 BDBM50133817 FT-0696667 N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide B-110 CS-5476 KS-00001DIH RT-011429 [ Show all ]
Inchi Key	ROGUAPYLUCHQGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PubChem CID	9929425
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50133817
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	<10000.0 nM	PMID12721338	BindingDB

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