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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	CHEMBL284612
Molecular formula	C23H30N4O7S
IUPAC name	3-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]anilino]-3-oxopropanoic acid
Molecular weight	506.574
Hydrogen bond acceptor	10
Hydrogen bond donor	6
XlogP	-1.2
Synonyms	BFMYNBIXRFYVEZ-NRFANRHFSA-N N-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-phenyl)-malonamic acid SCHEMBL6074780 3-(4-{4-[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidineyl}anilino)-3-oxopropanoic acid BDBM50098653 3-(4-{4-[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}anilino)-3-oxopropanoic acid [ Show all ]
Inchi Key	BFMYNBIXRFYVEZ-NRFANRHFSA-N
Inchi ID	InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-15(2-7-20(19)28)21(29)14-24-16-8-10-27(11-9-16)18-5-3-17(4-6-18)25-22(30)13-23(31)32/h2-7,12,16,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,30)(H,31,32)/t21-/m0/s1
PubChem CID	10553603
ChEMBL	CHEMBL284612
IUPHAR	N/A
BindingDB	50098653
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
22442	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
22444	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
22443	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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