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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	AC1MTBBI
Molecular formula	C24H26N2O5S2
IUPAC name	2-[[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Molecular weight	486.601
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.5
Synonyms	2-({2-(4-methylphenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}thio)-N-(tetrahydrofuran-2-ylmethyl)acetamide HMS2913J11 AKOS001776815 MolPort-003-029-848 2-[[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide MCULE-8384842792 AKOS022026105 SMR000621311 CHEMBL1393192 MLS000936740 CCG-126239 [ Show all ]
Inchi Key	ABQFVPXSRIYAGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N2O5S2/c1-16-5-9-18(10-6-16)22-26-23(33(28,29)20-11-7-17(2)8-12-20)24(31-22)32-15-21(27)25-14-19-4-3-13-30-19/h5-12,19H,3-4,13-15H2,1-2H3,(H,25,27)
PubChem CID	3597887
ChEMBL	CHEMBL1393192
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
1076	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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