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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	BDBM46570
Molecular formula	C21H19N3O3S
IUPAC name	[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-(2,5-dimethylphenyl)sulfanylacetate
Molecular weight	393.461
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	CHEBI:108963 cid_5683259 2-[(2,5-dimethylphenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,5-dimethylphenyl)sulfanylethanoate 2-[(2,5-dimethylphenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester
Inchi Key	BGCNMYPMRYTVLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19N3O3S/c1-13-7-8-14(2)19(9-13)28-12-20(26)27-11-18(25)15(10-22)21-23-16-5-3-4-6-17(16)24-21/h3-9,15H,11-12H2,1-2H3,(H,23,24)
PubChem CID	40623375
ChEMBL	N/A
IUPHAR	N/A
BindingDB	46570
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
22851	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309

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