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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	SMR000153558
Molecular formula	C24H22N4O3S2
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
Molecular weight	478.585
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.3
Synonyms	N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide HMS2185N21 MLS003913128 Z14345629 AKOS002438136 N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CHEMBL1351556 REGID_for_CID_5156301 851185-31-4 MCULE-5314941977 MolPort-004-070-011 BDBM77305 N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide cid_5156301 MLS000566646 AC1NPD01 [ Show all ]
Inchi Key	AIHAAYAIQLHTTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N4O3S2/c1-16(23(29)25-13-18-9-10-19-20(12-18)31-15-30-19)33-24-27-26-22(21-8-5-11-32-21)28(24)14-17-6-3-2-4-7-17/h2-12,16H,13-15H2,1H3,(H,25,29)
PubChem CID	5156301
ChEMBL	CHEMBL1351556
IUPHAR	N/A
BindingDB	N/A
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
6205	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
6206	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
6207	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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