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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	MLS000573697
Molecular formula	C17H21Cl3N4OS2
IUPAC name	3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide
Molecular weight	467.852
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.6
Synonyms	3-METHYL-N-[2,2,2-TRICHLORO-1-({[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)AMINO]CARBOTHIOYL}AMINO)ETHYL]BUTANAMIDE AKOS016288693 CHEMBL1409680 SMR000184547 3-methyl-N-[2,2,2-trichloro-1-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]ethyl]butanamide BRD-A55497692-001-05-1 HMS2355F23 UPCMLD0ENAT0501-0798:001 3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide AC1MD3ZV CDS1_003556 MLS002539594 3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide BDBM57424 cid_2830524 SMSF0003817 3-methyl-N-[2,2,2-tris(chloranyl)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide CB14050 MCULE-3870234005 Z56764619 3-methyl-N-[2,2,2-trichloro-1-({[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonothioyl}amino)ethyl]butanamide AKOS001035055 MolPort-000-418-630 3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]ethyl]butyramide BIM-0010989.P001 DivK1c_004596 STK808754 302941-07-7 CBMicro_010980 [ Show all ]
Inchi Key	ACCZQFYCWSMYTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21Cl3N4OS2/c1-9(2)7-13(25)22-15(17(18,19)20)24-16(26)23-14-11(8-21)10-5-3-4-6-12(10)27-14/h9,15H,3-7H2,1-2H3,(H,22,25)(H2,23,24,26)
PubChem CID	2830524
ChEMBL	CHEMBL1409680
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
1443	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1442	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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