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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	CHEMBL177101
Molecular formula	C13H16F4N2O2S
IUPAC name	(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular weight	340.337
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.2
Synonyms	ZINC13581899 (3r)-3-(Fluoromethyl)-N-(3,3,3-Trifluoropropyl)-1,2,3,4-Tetrahydroisoquinoline-7-Sulfonamide BDBM50163108 DB07798 (R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid (3,3,3-trifluoro-propyl)-amide
Inchi Key	BBUDQLKRZPRPFD-LLVKDONJSA-N
Inchi ID	InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1
PubChem CID	11349402
ChEMBL	CHEMBL177101
IUPHAR	N/A
BindingDB	50163108
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
19847	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450

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