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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	MLS000417683
Molecular formula	C22H24N4O3S2
IUPAC name	N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
Molecular weight	456.579
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	CHEMBL1519696 N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide 721890-15-9 MCULE-8009818766 N-[2-methyl-5-(piperidine-1-sulfonyl)phenyl]-2-(quinazolin-4-ylsulfanyl)acetamide BDBM114351 MolPort-004-009-905 ZINC8696091 cid_5110655 N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide AC1NOC55 SMR000242756 N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide HMS2530A24 N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide AKOS000870728 MLS003914044 Z19315064 [ Show all ]
Inchi Key	DGAKDVIAOVPIHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O3S2/c1-16-9-10-17(31(28,29)26-11-5-2-6-12-26)13-20(16)25-21(27)14-30-22-18-7-3-4-8-19(18)23-15-24-22/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,27)
PubChem CID	5110655
ChEMBL	CHEMBL1519696
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
59077	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
59079	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
59078	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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