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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	SMR000196675
Molecular formula	C22H24N2O2S2
IUPAC name	2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
Molecular weight	412.566
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM46903 MolPort-002-227-942 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone cid_2918857 AKOS001674414 MCULE-1052115417 STK095650 1-[(1,3-benzothiazol-2-ylthio)acetyl]-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline Oprea1_110090 2-(1,3-benzothiazol-2-ylthio)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone EU-0079636 SR-01000501716 AKOS016301453 MLS000575641 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanone CHEMBL1544798 REGID_for_CID_2918857 AC1MFGGF HMS2336J03 SR-01000501716-1 [ Show all ]
Inchi Key	AFXLHBRQFXVKKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O2S2/c1-14-12-22(2,3)24(18-10-9-15(26-4)11-16(14)18)20(25)13-27-21-23-17-7-5-6-8-19(17)28-21/h5-11,14H,12-13H2,1-4H3
PubChem CID	2918857
ChEMBL	CHEMBL1544798
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
4591	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
4592	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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