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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	MLS001239478
Molecular formula	C29H32N4O3S2
IUPAC name	4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
Molecular weight	548.72
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.2
Synonyms	4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride BDBM66953 cid_24892626 SMR000807778 CHEBI:104003 MCULE-9066095598 AKOS024622467 ZINC38144545 CHEMBL1621632 [ Show all ]
Inchi Key	AVOROEGEYAGDGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
PubChem CID	24892627
ChEMBL	N/A
IUPHAR	N/A
BindingDB	66953
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
15503	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
15502	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
15504	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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