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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000760186
Molecular formula	C18H19ClN2O3S
IUPAC name	[4-(2-chlorophenyl)piperazin-1-yl]-(3,4-dihydroxy-5-methoxyphenyl)methanethione
Molecular weight	378.871
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one BDBM61839 SCHEMBL12950710 (4E)-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one 796067-84-0 cid_6098163 ZINC03338785 (4Z)-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one AC1O9DOH 5-[4-(2-chlorophenyl)piperazine-1-carbothioyl]-3-methoxybenzene-1,2-diol SMR000368614 (4Z)-4-[[4-(2-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-2-hydroxy-6-methoxy-1-cyclohexa-2,5-dienone AC1NWIA4 HMS2697P21 ZINC13121809 (4Z)-4-[[4-(2-chlorophenyl)piperazino]-mercapto-methylene]-2-hydroxy-6-methoxy-cyclohexa-2,5-dien-1-one AKOS034471830 MolPort-004-281-658 CHEMBL1386851 Z57052919 (4Z)-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2-methoxy-6-oxidanyl-cyclohexa-2,5-dien-1-one AC1O1JMF MCULE-9607151367 [ Show all ]
Inchi Key	BUROKOGOWXVRCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN2O3S/c1-24-16-11-12(10-15(22)17(16)23)18(25)21-8-6-20(7-9-21)14-5-3-2-4-13(14)19/h2-5,10-11,22-23H,6-9H2,1H3
PubChem CID	2455058
ChEMBL	CHEMBL1386851
IUPHAR	N/A
BindingDB	61839
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
558292	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
558291	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
558290	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
558293	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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