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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	MLS002180522
Molecular formula	C19H21ClN2O4S
IUPAC name	[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
Molecular weight	408.897
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	AKOS016846435 HMS3068H05 MolPort-006-025-175 MCULE-4249956715 AKOS002436724 SMR001269552 CHEMBL1512634 [ Show all ]
Inchi Key	BFTJPLMVCCCXAU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN2O4S/c1-12-5-4-8-22(10-12)15(23)11-26-16(24)9-21-19(25)18-17(20)13-6-2-3-7-14(13)27-18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,25)
PubChem CID	16496658
ChEMBL	CHEMBL1512634
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
22621	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
22620	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
22622	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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