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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	MLS000089738
Molecular formula	C18H21N7O3
IUPAC name	propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate
Molecular weight	383.412
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.5
Synonyms	CCG-18121 Oprea1_058712 1-(4-aminofurazan-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid isopropyl ester cid_1043390 SMR000024356 AKOS001616433 MCULE-2712630522 ZINC27531504 propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate HMS2508M06 SR-01000457155 BDBM37688 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-triazolecarboxylic acid propan-2-yl ester CHEMBL1568452 propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3-triazole-4-carboxylate AC1LKH78 isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1H-1,2,3-triazole-4-carboxylate SR-01000457155-1 [ Show all ]
Inchi Key	AXTPHIGRLIBRCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PubChem CID	1043390
ChEMBL	CHEMBL1568452
IUPHAR	N/A
BindingDB	37688
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
17068	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
17071	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
17070	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351
17069	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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