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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	CHEMBL491645
Molecular formula	C28H31ClN2O5
IUPAC name	5-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]-2-(2,2-dimethylpropanoylamino)benzoic acid
Molecular weight	511.015
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.1
Synonyms	BDBM50264709 (R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-pivalamidobenzoic acid
Inchi Key	KSUHGFRCLCFQDZ-VWLOTQADSA-N
Inchi ID	InChI=1S/C28H31ClN2O5/c1-28(2,3)27(35)31-24-11-10-22(16-23(24)26(33)34)36-21-9-4-6-18(14-21)12-13-30-17-25(32)19-7-5-8-20(29)15-19/h4-11,14-16,25,30,32H,12-13,17H2,1-3H3,(H,31,35)(H,33,34)/t25-/m0/s1
PubChem CID	44580040
ChEMBL	CHEMBL491645
IUPHAR	N/A
BindingDB	50264709
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
177392	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
177393	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405
177394	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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