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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	MLS000056039
Molecular formula	C18H21NO3S
IUPAC name	[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular weight	331.43
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	cid_2563677 SR-01000066181-1 852411-64-4 [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate BDBM37002 SMR000068560 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester HMS2376B19 Z20079134 AC1M9R5P MLS002633837 [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate CHEMBL1588391 SR-01000066181 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester MCULE-2929927664 ZINC3443600 AKOS033729606 MolPort-004-082-048 [ Show all ]
Inchi Key	AFOVQNNGIWWVTI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21NO3S/c1-11-8-14(12(2)19(11)3)16(20)9-22-18(21)15-10-23-17-7-5-4-6-13(15)17/h8,10H,4-7,9H2,1-3H3
PubChem CID	2563677
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37002
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
4369	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382

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