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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	SMR000094367
Molecular formula	C23H27N3O5S
IUPAC name	2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide
Molecular weight	457.545
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,5-dimethyl-anilino)-N-m-anisyl-acetamide N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(3,5-dimethylphenyl)-N~1~-(3-methoxybenzyl)glycinamide 2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide HMS2258D11 AKOS001827413 MLS000878390 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(3,5-dimethylphenyl)amino]-N-[(3-methoxyphenyl)methyl]ethanamide CHEMBL1566841 MCULE-6473427566 BDBM41659 MolPort-007-636-791 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide cid_5308908 ZINC6577411 AC1NSFRD MLS000117417 [ Show all ]
Inchi Key	AWZYKXWLZVIQJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27N3O5S/c1-15-9-16(2)11-20(10-15)26(32(28,29)23-17(3)25-31-18(23)4)14-22(27)24-13-19-7-6-8-21(12-19)30-5/h6-12H,13-14H2,1-5H3,(H,24,27)
PubChem CID	5308908
ChEMBL	CHEMBL1566841
IUPHAR	N/A
BindingDB	41659
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
16488	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
16487	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353

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