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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	CHEMBL57449
Molecular formula	C32H40ClNO9
IUPAC name	bis(oxan-2-ylmethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight	618.12
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.9
Synonyms	5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(tetrahydro-2H-pyran-2-ylmethyl) ester 5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(tetrahydro-pyran-2-ylmethyl) ester HOBFKAMPPUNREC-OFVOXUNVSA-N
Inchi Key	HOBFKAMPPUNREC-OFVOXUNVSA-N
Inchi ID	InChI=1S/C32H40ClNO9/c1-21(34-18-27(35)23-7-6-8-24(33)17-23)15-22-11-12-28-29(16-22)43-32(42-28,30(36)40-19-25-9-2-4-13-38-25)31(37)41-20-26-10-3-5-14-39-26/h6-8,11-12,16-17,21,25-27,34-35H,2-5,9-10,13-15,18-20H2,1H3/t21-,25?,26?,27+,32?/m1/s1
PubChem CID	44300367
ChEMBL	CHEMBL57449
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
119824	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400

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