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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	MLS001239249
Molecular formula	C30H34N4O3S2
IUPAC name	4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
Molecular weight	562.747
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.5
Synonyms	ZINC38139103 CHEMBL1617487 AKOS024622685 cid_24891917 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride SMR000807893 BDBM76142 MCULE-7268039474 [ Show all ]
Inchi Key	ATLWQJFAEBYNQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H34N4O3S2/c1-21-18-22(2)28-27(19-21)31-30(38-28)34(16-7-15-32(3)4)29(35)24-10-12-26(13-11-24)39(36,37)33-17-14-23-8-5-6-9-25(23)20-33/h5-6,8-13,18-19H,7,14-17,20H2,1-4H3
PubChem CID	24891918
ChEMBL	N/A
IUPHAR	N/A
BindingDB	76142
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
14078	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
14079	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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