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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	KUC105575N
Molecular formula	C21H18N4S
IUPAC name	2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
Molecular weight	358.463
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.0
Synonyms	2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine BDBM75413 2-[4-benzyl-5-(benzylsulfanyl)-4h-1,2,4-triazol-3-yl]pyridine cid_11462495 SCHEMBL3910198 2-[4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine 2-[4-benzyl-5-(benzylthio)-1,2,4-triazol-3-yl]pyridine KSC-12-171-A3 ABVXSGQSIQXNHD-UHFFFAOYSA-N 2-[4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine CHEMBL590844 2-[4-benzyl-5-(benzylthio)-4H-1,2,4-triazol-3-yl]pyridine [ Show all ]
Inchi Key	ABVXSGQSIQXNHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N4S/c1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
PubChem CID	11462495
ChEMBL	CHEMBL590844
IUPHAR	N/A
BindingDB	75413
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
1226	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380

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