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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	MLS000936813
Molecular formula	C20H22N6O4S2
IUPAC name	4-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Molecular weight	474.554
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.0
Synonyms	MCULE-8984530700 AKOS001762788 N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide ZINC9939219 HMS2895F12 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide SMR000621439 HMS3434J03 AB00844215-06 MolPort-003-071-446 CHEMBL1324587 STL145438 [ Show all ]
Inchi Key	AYLJCAPKJMBZTO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N6O4S2/c1-25-19(28)18-15(10-12-31-18)26-16(23-24-20(25)26)3-2-4-17(27)22-11-9-13-5-7-14(8-6-13)32(21,29)30/h5-8,10,12H,2-4,9,11H2,1H3,(H,22,27)(H2,21,29,30)
PubChem CID	16805712
ChEMBL	CHEMBL1324587
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
17551	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
17553	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
17552	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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