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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	NSC697168
Molecular formula	C46H46N8O4
IUPAC name	1-[[4-anilino-5-[8-[4-anilino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol
Molecular weight	774.926
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	10.8
Synonyms	2-naphthalenol, 1,1'-[1,8-octanediylbis[[4-(phenylamino)-4h-1,2,4-triazole-5,3-diyl]methyleneoxy]]bis- SCHEMBL12168383 CHEMBL194220 1-[[4-anilino-5-[8-[4-anilino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol NSC-697168 AC1L97GM CTK8D3467 1-[[4-anilino-5-[8-[4-anilino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol 1-((4-Anilino-5-(8-(4-anilino-5-(((2-hydroxy-1-naphthyl)oxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)methoxy)-2-naphthol NCI60_034637 [ Show all ]
Inchi Key	LNDVDGHWVHFAEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C46H46N8O4/c55-39-29-27-33-17-13-15-23-37(33)45(39)57-31-43-49-47-41(53(43)51-35-19-7-5-8-20-35)25-11-3-1-2-4-12-26-42-48-50-44(54(42)52-36-21-9-6-10-22-36)32-58-46-38-24-16-14-18-34(38)28-30-40(46)56/h5-10,13-24,27-30,51-52,55-56H,1-4,11-12,25-26,31-32H2
PubChem CID	394050
ChEMBL	CHEMBL194220
IUPHAR	N/A
BindingDB	N/A
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
191514	G-protein coupled receptor 182	O15218	GPR182	Homo sapiens (Human)	404

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