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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	SCHEMBL1991414
Molecular formula	C18H21N3OS
IUPAC name	6-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-3-carboxamide
Molecular weight	327.446
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.6
Synonyms	3-Pyridinecarboxamide, 6-(methylthio)-N-[4-(3S)-3-piperidinylphenyl]- US9452980, 244 1312570-29-8 BDBM250334 ZINC117723769
Inchi Key	AKFINJOPCYZMGH-CQSZACIVSA-N
Inchi ID	InChI=1S/C18H21N3OS/c1-23-17-9-6-15(12-20-17)18(22)21-16-7-4-13(5-8-16)14-3-2-10-19-11-14/h4-9,12,14,19H,2-3,10-11H2,1H3,(H,21,22)/t14-/m1/s1
PubChem CID	67239705
ChEMBL	N/A
IUPHAR	N/A
BindingDB	250334
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
557502	Trace amine-associated receptor 1	Q923Y9	Taar1	Rattus norvegicus (Rat)	332
557503	Trace amine-associated receptor 1	Q923Y8	Taar1	Mus musculus (Mouse)	332

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