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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	UNII-52H8DB0TKX
Molecular formula	C20H20ClNO7
IUPAC name	5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid
Molecular weight	421.83
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.4
Synonyms	CL 316243 SCHEMBL2345491 5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-2H-1,3-benzodioxole-2,2-dicarboxylic acid CL316,243 183720-02-7 BDBM25763 Lopac0_000295 5-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2-dicarboxylic acid CL-316243 52H8DB0TKX D07WHS CHEMBL1204876 LS-187111 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid Cl-316243 Free diacid ZINC1493298 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)- AC1NUOLQ GTPL3462 [ Show all ]
Inchi Key	JEDJMKTVUPSHFW-ABAIWWIYSA-N
Inchi ID	InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1
PubChem CID	5486546
ChEMBL	N/A
IUPHAR	3462
BindingDB	25763
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
148734	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
460574	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
148735	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
554010	Beta-3 adrenergic receptor	P25962	Adrb3	Mus musculus (Mouse)	400

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