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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	MLS000086722
Molecular formula	C17H25N3O2S
IUPAC name	N-[3-[butyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Molecular weight	335.466
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	cid_3239520 N-{3-[butyl(methyl)amino]propyl}-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide AKOS001754246 N-[3-[butyl(methyl)amino]propyl]-2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanamide HMS2355N16 SMR000022762 BDBM31025 MLS001367943 CHEMBL1455021 N-[3-[butyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide AC1MMJ0T MCULE-4997970689 CCG-27233 N-[3-[butyl(methyl)amino]propyl]-2-(2-keto-1,3-benzothiazol-3-yl)acetamide [ Show all ]
Inchi Key	FOVXFYNKMOHPDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25N3O2S/c1-3-4-11-19(2)12-7-10-18-16(21)13-20-14-8-5-6-9-15(14)23-17(20)22/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,18,21)
PubChem CID	3239520
ChEMBL	CHEMBL1455021
IUPHAR	N/A
BindingDB	31025
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
83687	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
83689	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
83688	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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