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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	US8551978, I-14
Molecular formula	C45H52N6O7
IUPAC name	[1-[3-[[5-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]anilino]-5-oxopentyl]-methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight	788.946
Hydrogen bond acceptor	9
Hydrogen bond donor	6
XlogP	3.9
Synonyms	SCHEMBL730345 BDBM129615 US8816088, I-15 BDBM6384 CHEMBL3645363 AKYUMGLGSXQSCR-FAIXQHPJSA-N US8816088, 14 Biphenyl-2-ylcarbamic Acid 1-(2-{[4-(4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}phenylcarbamoyl)-butyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester [ Show all ]
Inchi Key	AKYUMGLGSXQSCR-FAIXQHPJSA-N
Inchi ID	InChI=1S/C45H52N6O7/c1-50(43(56)24-28-51-26-22-34(23-27-51)58-45(57)48-38-12-6-5-11-35(38)32-9-3-2-4-10-32)25-8-7-13-41(54)47-33-16-14-31(15-17-33)29-46-30-40(53)36-18-20-39(52)44-37(36)19-21-42(55)49-44/h2-6,9-12,14-21,34,40,46,52-53H,7-8,13,22-30H2,1H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1
PubChem CID	56953428
ChEMBL	CHEMBL3645363
IUPHAR	N/A
BindingDB	6384
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
533942	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
8036	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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