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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	5-hydroxytryptamine receptor 6
Species	Rattus norvegicus (Rat)
Gene	Htr6
Synonym	5-HT-6 5-HT6 5-HT6 receptor 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled Serotonin receptor 6 ST-B17 [ Show all ]
Disease	N/A for non-human GPCRs
Length	436
Amino acid sequence	MVPEPGPVNSSTPAWGPGPPPAPGGSGWVAAALCVVIVLTAAANSLLIVLICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTAPRALALILGAWSLAALASFLPLLLGWHELGKARTPAPGQCRLLASLPFVLVASGVTFFLPSGAICFTYCRILLAARKQAVQVASLTTGTAGQALETLQVPRTPRPGMESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIAQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCVHCPPEHRPALPPPPCGPLTAVPDQASACSRCCLCLCRQTQIQTPLQGAPRACSSQPSFCCLERPPGTPRHPPGPPLWSTSLSQTLWSLRYGRIHSVPP
UniProt	P31388
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	CHEMBL3372
IUPHAR	11
DrugBank	N/A

Ligand

Name	CGS 12066B
Molecular formula	C17H17F3N4
IUPAC name	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight	334.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	Cgs 12066 CHEBI:64055 L000723 NCGC00015180-04 SCHEMBL1660466 109028-09-3 CGS-12066 CTK6I3092 LS-187235 NCGC00024701-02 ZINC2516018 4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline Biomol-NT_000089 CAS_109028-10-6 CGS-12066B FT-0708356 NCGC00015180-02 Pyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt Lopac-C-106 NCGC00015180-05 Tocris-0638 109028-10-6 AC1L1E8Q BPBio1_001091 CGS-12066A D0Q1ER LXFHSCDLMBZYKY-UHFFFAOYSA-N NCGC00024701-03 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline CCG-204427 CGS12066 GTPL109 NCGC00015180-03 Pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline CGS 12066B-parent CHEMBL27403 Lopac0_000332 NCGC00024701-01 UNII-5TB4SXQ7HG 4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline # BDBM81497 BRD-K18909381-001-01-4 CGS-12066A maleate salt DTXSID3043730 NCGC00015180-01 NSC_123945 5TB4SXQ7HG [ Show all ]
Inchi Key	LXFHSCDLMBZYKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
PubChem CID	2689
ChEMBL	CHEMBL27403
IUPHAR	109
BindingDB	81497
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	738.0 nM	PMID7680751	BindingDB
Ki	794.328 nM	PMID7680751	IUPHAR

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