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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	MLS001239313
Molecular formula	C28H29FN4O3S2
IUPAC name	4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
Molecular weight	552.683
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.9
Synonyms	SMR000807825 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride BDBM76144 MCULE-5880038179 ZINC38139124 CHEMBL1616051 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride AKOS024622575 cid_24891996 [ Show all ]
Inchi Key	CCGFVPDUSVPJFT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29FN4O3S2/c1-31(2)16-6-17-33(28-30-26-24(29)9-5-10-25(26)37-28)27(34)21-11-13-23(14-12-21)38(35,36)32-18-15-20-7-3-4-8-22(20)19-32/h3-5,7-14H,6,15-19H2,1-2H3
PubChem CID	24891997
ChEMBL	N/A
IUPHAR	N/A
BindingDB	76144
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
38532	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
38533	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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