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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	MLS000116347
Molecular formula	C18H20N2O4S
IUPAC name	ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular weight	360.428
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SR-01000122629 BDBM34498 MCULE-2581358496 ZINC2497988 2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester cid_5307410 MolPort-006-844-094 AC1NSCHP ethyl 2-[(5-cyclopropylisoxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxylate SR-01000122629-1 2-[[(5-cyclopropyl-3-isoxazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester ethyl 2-[(5-cyclopropyl-1,2-oxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SMR000093324 AKOS001498662 ethyl 2-{[(5-cyclopropylisoxazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ST50677335 CHEMBL1573313 MLS002586378 [ Show all ]
Inchi Key	BIWJEFHETPCONI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O4S/c1-2-23-18(22)15-11-5-3-4-6-14(11)25-17(15)19-16(21)12-9-13(24-20-12)10-7-8-10/h9-10H,2-8H2,1H3,(H,19,21)
PubChem CID	5307410
ChEMBL	CHEMBL1573313
IUPHAR	N/A
BindingDB	34498
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
24773	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
24772	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351

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