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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	MLS000591296
Molecular formula	C22H20ClN3O3S
IUPAC name	5-[3-(2-chloro-6-methylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Molecular weight	441.93
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	5-[3-(2-chloro-6-methyl-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid BDBM82739 STL336925 5-[5-(2-Chloro-6-methyl-quinolin-3-yl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-5-oxo-pentanoic acid cid_3801855 AC1MWN0A MolPort-002-369-606 5-[3-(2-chloro-6-methylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid 5-[5-(2-chloro-6-methylquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid MCULE-7777245490 5-[3-(2-chloranyl-6-methyl-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid AKOS022128176 SMR000218859 5-[5-(2-chloro-6-methyl-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valeric acid CHEMBL1302035 796878-71-2 [ Show all ]
Inchi Key	ACGQCSJCKMYSIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20ClN3O3S/c1-13-7-8-16-14(10-13)11-15(22(23)24-16)18-12-17(19-4-3-9-30-19)25-26(18)20(27)5-2-6-21(28)29/h3-4,7-11,18H,2,5-6,12H2,1H3,(H,28,29)
PubChem CID	3801855
ChEMBL	CHEMBL1302035
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
1549	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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