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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	CHEMBL3954357
Molecular formula	C21H23ClF3N5O5S2
IUPAC name	2-[3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-5-oxo-1,2,4-triazol-1-yl]-N-[2-(methanesulfonamido)-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
Molecular weight	582.01
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	2.9
Synonyms	2-[3-(5-Chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-{2-[(methylsulphonyl)amino]-2-[2-(trifluoromethyl)phenyl]ethyl}acetamide US9180120, 69 AUMJITSEKJGFAI-UHFFFAOYSA-N BDBM190365 SCHEMBL10090058
Inchi Key	AUMJITSEKJGFAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23ClF3N5O5S2/c1-35-10-9-29-19(16-7-8-17(22)36-16)27-30(20(29)32)12-18(31)26-11-15(28-37(2,33)34)13-5-3-4-6-14(13)21(23,24)25/h3-8,15,28H,9-12H2,1-2H3,(H,26,31)
PubChem CID	56848687
ChEMBL	CHEMBL3954357
IUPHAR	N/A
BindingDB	190365
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
536373	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
536372	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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