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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	MLS001150220
Molecular formula	C16H18N4O3
IUPAC name	6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
Molecular weight	314.345
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.4
Synonyms	ZINC21741648 6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol HMS2974E13 AKOS001167470 MolPort-003-280-863 CHEMBL1392809 6-[[4-(2-pyrimidyl)piperazino]methyl]sesamol MCULE-9037547191 BDBM66927 SMR000688762 6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol cid_7480032 AC1OMVCG [ Show all ]
Inchi Key	ARCOXMPSRJYGRO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O3/c21-13-9-15-14(22-11-23-15)8-12(13)10-19-4-6-20(7-5-19)16-17-2-1-3-18-16/h1-3,8-9,21H,4-7,10-11H2
PubChem CID	7480032
ChEMBL	CHEMBL1392809
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
12316	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
464352	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
12315	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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