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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	CHEMBL595981
Molecular formula	C25H32ClN3O5S
IUPAC name	ethyl 2-amino-6-[(2R)-3-(4-chlorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Molecular weight	522.057
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50304471 (R)-Ethyl 2-amino-6-(2-(tert-butoxycarbonyl(methyl)-amino)-3-(4-chlorophenyl)propanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Inchi Key	AHYKJBMMFFRXTG-GOSISDBHSA-N
Inchi ID	InChI=1S/C25H32ClN3O5S/c1-6-33-23(31)20-17-11-12-29(14-19(17)35-21(20)27)22(30)18(13-15-7-9-16(26)10-8-15)28(5)24(32)34-25(2,3)4/h7-10,18H,6,11-14,27H2,1-5H3/t18-/m1/s1
PubChem CID	46227373
ChEMBL	CHEMBL595981
IUPHAR	N/A
BindingDB	50304471
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
5989	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326

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