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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	CHEMBL575359
Molecular formula	C27H30ClN3O3S2
IUPAC name	2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-1-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]ethanone
Molecular weight	544.125
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50299335 2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)-1-(4-(thiophen-2-ylmethylamino)piperidin-1-yl)ethanone
Inchi Key	BWUVASHCJZBOKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H30ClN3O3S2/c28-21-8-11-25(12-9-21)36(33,34)31-23(10-7-20-4-1-2-6-26(20)31)18-27(32)30-15-13-22(14-16-30)29-19-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2
PubChem CID	45483320
ChEMBL	CHEMBL575359
IUPHAR	N/A
BindingDB	50299335
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
34743	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
34744	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
34745	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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