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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	AC1NB7KM
Molecular formula	C18H21N3O6S2
IUPAC name	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
Molecular weight	439.501
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	0.4
Synonyms	Z18545550 AKOS001076585 HMS2747O13 N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide AB00655206-06 ZINC9580529 2-[({[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]carbamoyl}methyl)sulfanyl]pyridin-1-ium-1-olate MLS000776215 SMR000371209 CHEMBL1360781 721414-30-8 MolPort-004-254-695 [ Show all ]
Inchi Key	AYCCTTRGRSAARV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21N3O6S2/c1-26-16-6-5-14(29(24,25)20-8-10-27-11-9-20)12-15(16)19-17(22)13-28-18-4-2-3-7-21(18)23/h2-7,12H,8-11,13H2,1H3,(H,19,22)
PubChem CID	4438847
ChEMBL	CHEMBL1360781
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
17318	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
17320	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
17319	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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