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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	325850-81-5
Molecular formula	C22H17NO4S
IUPAC name	2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
Molecular weight	391.441
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	MolPort-000-691-587 ZINC4070868 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid AKOS000522976 SR-01000505193-1 2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio}benzoic acid BAS 00666317 GRI 977143 SYN5176 2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid AC1MJMO4 CCG-21963 M3L07R4ZEP SCHEMBL15490694 2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid AOB1269 CHEMBL3322500 ST50507421 2-((3-(1,3-Dioxo-(1H)benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic Acid BDBM50056345 GRI-977143 MCULE-6167327821 UNII-M3L07R4ZEP 2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid AJ-47854 CHEBI:139224 SR-01000505193 2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}benzoic acid AS-16536 F0223-0003 STK806571 2-((3-(1,3-Dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)benzoic acid Benzoic acid, 2-((3-(1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)- KB-272638 [ Show all ]
Inchi Key	GMVZUCHUOYUMLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
PubChem CID	3114900
ChEMBL	CHEMBL3322500
IUPHAR	N/A
BindingDB	50056345
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
445646	Lysophosphatidic acid receptor 2	Q9HBW0	LPAR2	Homo sapiens (Human)	351
445645	Lysophosphatidic acid receptor 3	Q9UBY5	LPAR3	Homo sapiens (Human)	353

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