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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	4-phenyl-3-buten-2-one thiosemicarbazone
Molecular formula	C11H13N3S
IUPAC name	[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
Molecular weight	219.306
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.8
Synonyms	CHEMBL1994401 NSC306890 ZINC15974424 MLS000576094 SMR000184785 AB00075269-01 benzalacetone thiosemicarbazone NSC 306890 ST50076842 (2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbothioamide HMS1577N12 Probes1_000386 [((1E,3E)-2-methyl-4-phenyl-1-azabuta-1,3-dienyl)amino]aminomethane-1-thione 6699-22-5 AC1NTKD9 MolPort-000-454-028 SR-01000198602 NSC-306890 STK948936 (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide Hydrazinecarbothioamide, 2-(1-methyl-3-phenyl-2-propenylidene)-, (E,E)- Probes2_000401 [(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea 81226-84-8 AKOS002184015 NCGC00245573-01 SR-01000198602-1 [ Show all ]
Inchi Key	AIVYBZNYDAYFOK-NJHPPEEMSA-N
Inchi ID	InChI=1S/C11H13N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-8H,1H3,(H3,12,14,15)/b8-7+,13-9+
PubChem CID	5405847
ChEMBL	CHEMBL1994401
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
6572	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
6573	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
6574	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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