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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	MLS000057790
Molecular formula	C18H13N3O3
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
Molecular weight	319.32
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	721415-08-3 cid_2998880 N-(1,3-benzodioxol-5-ylmethyl)[1]benzofuro[3,2-d]pyrimidin-4-amine BDBM36996 MCULE-8277095303 SMR000061739 N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidinamine ZINC4164825 AC1MHAJK HMS1764A06 N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-6-amine benzofuro[3,2-d]pyrimidin-4-yl(piperonyl)amine STL059546 CHEMBL1491068 N-(1,3-benzodioxol-5-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine AKOS001073820 HMS2178G08 REGID_for_CID_2998880 CHEBI:114568 MolPort-002-623-418 Z31193153 [ Show all ]
Inchi Key	ACBAKVVEGJKNPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13N3O3/c1-2-4-13-12(3-1)16-17(24-13)18(21-9-20-16)19-8-11-5-6-14-15(7-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,20,21)
PubChem CID	2998880
ChEMBL	CHEMBL1491068
IUPHAR	N/A
BindingDB	36996
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
1394	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1395	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
1393	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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