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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	CHEMBL98231
Molecular formula	C30H42N4O2
IUPAC name	1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
Molecular weight	490.692
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.3
Synonyms	1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone Oprea1_070307 alpha-[2-Imino-3-(2-piperidinoethyl)-2,3-dihydro-1H-benzimidazole-1-yl]-3',5'-di-tert-butyl-4'-hydroxyacetophenone SCHEMBL12393182 BDBM50105704 1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-3-(2-piperidin-1-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-ethanone MolPort-003-812-012 AC1LKP0U ZINC8691861 [ Show all ]
Inchi Key	AVEDPTZUFCVDIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H42N4O2/c1-29(2,3)22-18-21(19-23(27(22)36)30(4,5)6)26(35)20-34-25-13-9-8-12-24(25)33(28(34)31)17-16-32-14-10-7-11-15-32/h8-9,12-13,18-19,31,36H,7,10-11,14-17,20H2,1-6H3
PubChem CID	1047178
ChEMBL	CHEMBL98231
IUPHAR	N/A
BindingDB	50105704
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
15224	Proteinase-activated receptor 1	P25116	F2R	Homo sapiens (Human)	425

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