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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	CHEMBL421193
Molecular formula	C22H20ClNO7-2
IUPAC name	(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-cyclohepta[f][1,3]benzodioxole-2,2-dicarboxylate
Molecular weight	445.852
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.1
Synonyms	FR-165914 Disodium salt of (S)-6-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-6,7,8,9-tetrahydro-5H-1,3-dioxa-cyclohepta[f]indene-2,2-dicarboxylic acid BDBM50285930
Inchi Key	GWMSTQYZVVPMPN-IRXDYDNUSA-L
Inchi ID	InChI=1S/C22H22ClNO7/c23-15-5-1-4-13(7-15)17(25)11-24-16-6-2-3-12-9-18-19(10-14(12)8-16)31-22(30-18,20(26)27)21(28)29/h1,4-5,7,9-10,16-17,24-25H,2-3,6,8,11H2,(H,26,27)(H,28,29)/p-2/t16-,17-/m0/s1
PubChem CID	91934834
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50285930
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
107060	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415
107059	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400

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