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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	MLS000526436
Molecular formula	C18H31N3S
IUPAC name	[(E)-1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea
Molecular weight	321.527
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.7
Synonyms	(2E)-2-[1-(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)propan-2-ylidene]hydrazinecarbothioamide CHEMBL3189272 AKOS022087502 MolPort-001-936-684 C18H31N3S [1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea 1-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea cid_2854355 BAS 00511870 SMR000116910 [[1-methyl-2-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)ethylidene]amino]thiourea AKOS000621410 BDBM79972 STK860027 [ Show all ]
Inchi Key	AAODAXBGVQWVMB-UDWIEESQSA-N
Inchi ID	InChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)/b20-12+
PubChem CID	9554433
ChEMBL	CHEMBL3189272
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
383	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
382	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
381	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
380	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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