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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	MLS001035753
Molecular formula	C18H18N2O4S
IUPAC name	N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Molecular weight	358.412
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.1
Synonyms	AP-970/42736506 MolPort-001-629-972 SR-01000797078-2 CHEMBL1561507 N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide AC1MG1NM MCULE-2503031008 SMR000666309 BDBM80046 N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-hydroxy-5-isopropylphenyl)thiourea ZINC4998976 cid_2954096 N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide AKOS000443596 SR-01000797078 N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]-piperonylamide HMS2976H20 N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide [ Show all ]
Inchi Key	CZQVWFIRDZMZCS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2O4S/c1-10(2)11-3-5-14(21)13(7-11)19-18(25)20-17(22)12-4-6-15-16(8-12)24-9-23-15/h3-8,10,21H,9H2,1-2H3,(H2,19,20,22,25)
PubChem CID	2954096
ChEMBL	CHEMBL1561507
IUPHAR	N/A
BindingDB	80046
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
54562	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
54561	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
469654	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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