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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	CHEMBL166161
Molecular formula	C23H27FN2O2S
IUPAC name	3-[2-[4-(benzenesulfinylmethyl)-4-methoxypiperidin-1-yl]ethyl]-5-fluoro-1H-indole
Molecular weight	414.539
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3-[2-(4-Benzenesulfinylmethyl-4-methoxy-piperidin-1-yl)-ethyl]-5-fluoro-1H-indole BRD-A75307298-001-01-5 J-009536 CTK8H1201 NCGC00025092-02 BCP14964 GR-159,897 3-[2-[4-(benzenesulfinylmethyl)-4-methoxypiperidin-1-yl]ethyl]-5-fluoro-1H-indole L009512 AC1MT6MT DTXSID20393749 SCHEMBL8271428 158848-32-9 BDBM50097911 HMS3267L05 5-Fluoro-3-[3-(4-methoxy-4-(methylsulfinyl)benzenepiperidin-1-yl)-ethyl]-1H-indole NCGC00025092-01 B6667 GR 159897 Tocris-1274 [ Show all ]
Inchi Key	BANYJBHWTOJQDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3
PubChem CID	3570748
ChEMBL	CHEMBL166161
IUPHAR	N/A
BindingDB	50097911
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
19025	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398

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