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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	CHEMBL2017869
Molecular formula	C30H38FN3O6S
IUPAC name	1-[1-[2-[2-(2-fluoroethoxy)-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight	587.707
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.0
Synonyms	ALS-I-41 BDBM50380759 J3.603.231F
Inchi Key	SYRRIFTXJYXCIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3
PubChem CID	57519948
ChEMBL	CHEMBL2017869
IUPHAR	N/A
BindingDB	50380759
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
326490	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
326487	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
326489	Vasopressin V1a receptor	Q9WTV9	Avpr1a	Microtus ochrogaster (Prairie vole)	420
326486	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
326488	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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