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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	CHEMBL250579
Molecular formula	C41H42N4O5
IUPAC name	6-[4-[2-[[(2S)-3-[(3,3-dibenzyl-2-oxo-1H-indol-4-yl)oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular weight	670.81
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	5.7
Synonyms	(S)-6-(4-(2-(3-(3,3-dibenzyl-2-oxoindolin-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide BDBM50224027
Inchi Key	BGHYFJPSEDCVLZ-YTTGMZPUSA-N
Inchi ID	InChI=1S/C41H42N4O5/c1-40(2,22-30-16-19-33(20-17-30)50-36-21-18-31(25-43-36)38(42)47)44-26-32(46)27-49-35-15-9-14-34-37(35)41(39(48)45-34,23-28-10-5-3-6-11-28)24-29-12-7-4-8-13-29/h3-21,25,32,44,46H,22-24,26-27H2,1-2H3,(H2,42,47)(H,45,48)/t32-/m0/s1
PubChem CID	44444172
ChEMBL	CHEMBL250579
IUPHAR	N/A
BindingDB	50224027
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
23024	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
23025	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
23026	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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