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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	AC1NLL93
Molecular formula	C16H16ClN3O5S
IUPAC name	[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
Molecular weight	397.83
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	MCULE-1918390470 SMR000364219 CHEMBL1456558 [(2-chloropyridin-3-yl)carbamoyl]methyl 4-(dimethylsulfamoyl)benzoate MLS000773530 AKOS033667400 Z19247277 HMS2727A21 [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate 726144-26-9 MolPort-004-257-217 ZINC4995853 [ Show all ]
Inchi Key	AGYGOBAYOHPWLH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClN3O5S/c1-20(2)26(23,24)12-7-5-11(6-8-12)16(22)25-10-14(21)19-13-4-3-9-18-15(13)17/h3-9H,10H2,1-2H3,(H,19,21)
PubChem CID	4984225
ChEMBL	CHEMBL1456558
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
463521	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
5332	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
5334	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
5333	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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