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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	MLS000109191
Molecular formula	C21H15N5O2S
IUPAC name	2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]isoindole-1,3-dione
Molecular weight	401.444
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.4
Synonyms	2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]isoindole-1,3-dione BAS 01313701 HMS2300D23 SR-01000427109-1 2-{[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione CBMicro_037185 MolPort-001-961-254 2-(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanylmethyl)-isoindole-1,3-dione AC1MEC8E cid_2876123 SMR000105137 2-[[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]isoindoline-1,3-quinone BDBM51594 MCULE-2531863735 STK720049 A1956/0082252 Oprea1_225880 2-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione AKOS000559008 EU-0085333 SR-01000427109 2-[[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]isoindole-1,3-dione BIM-0037274.P001 ZINC707678 AB00100673-01 CHEMBL1345233 Oprea1_530086 [ Show all ]
Inchi Key	ABYATXRNYMANLA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H15N5O2S/c1-2-11-25-16-10-6-5-9-15(16)17-18(25)22-21(24-23-17)29-12-26-19(27)13-7-3-4-8-14(13)20(26)28/h2-10H,1,11-12H2
PubChem CID	2876123
ChEMBL	CHEMBL1345233
IUPHAR	N/A
BindingDB	N/A
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
1301	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1302	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
463115	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
1303	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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