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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	Lergotrile [USAN:INN]
Molecular formula	C17H18ClN3
IUPAC name	2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile
Molecular weight	299.802
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.3
Synonyms	Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)- 2-Chloro-6-methylergoline-8beta-acetonitrile Lergotrilo [INN-Spanish] BDBM50028672 L000838 Lergotrilum [INN-Latin] CHEMBL284614 (5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-acetonitrile AC1L1Y12 LS-64308 [ Show all ]
Inchi Key	JKAHWGPTNVUTNB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3
PubChem CID	37586
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50028672
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	36.3 nM	PMID7984267	BindingDB
Ki	36.5 nM	PMID7680751	BindingDB

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