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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	CHEMBL32590
Molecular formula	C20H18ClNO7-2
IUPAC name	5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight	419.814
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.7
Synonyms	CL-316243 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid;Disodium salt NCGC00162119-01 CCG-204390 5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)-1,3-benzodioxole-2,2-dicarboxylate Disodium (R,R)-5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate NCGC00162119-02 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylate anion; disodium disodium 5-[2-[2-(3-chlorophenyl)-2-hydroxyethylamino]-(2R)-propyl]benzo[d][1,3]dioxole-2,2-dicarboxylate(CL 316,243) BDBM50002134 [ Show all ]
Inchi Key	JEDJMKTVUPSHFW-ABAIWWIYSA-L
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)/p-2/t11-,15+/m1/s1
PubChem CID	24867844
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50002134
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
148728	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
148731	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
148729	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418
460573	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
148730	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
148732	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400

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