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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	SMR000019512
Molecular formula	C15H8ClNO3S2
IUPAC name	3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
Molecular weight	349.803
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.9
Synonyms	5-chloro-2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzoxazole EU-0080418 3-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide BDBM37054 IDI1_003088 3-[(5-chloro-1,3-benzoxazol-2-yl)thio]benzothiophene 1,1-dioxide ChemDiv2_004373 AC1MG1I5 HMS1381G17 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide MLS000043085 cid_2928973 AKOS001670775 HMS2386I22 3-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-benzothiophene 1,1-dioxide CHEMBL1531073 Oprea1_403297 [ Show all ]
Inchi Key	AFYRYLBMABOAHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H
PubChem CID	2928973
ChEMBL	CHEMBL1531073
IUPHAR	N/A
BindingDB	37054
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
4626	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
4623	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
4625	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
4624	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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