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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	SMR000043948
Molecular formula	C21H16N4O3S
IUPAC name	3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
Molecular weight	404.444
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	585557-32-0 HMS2400C20 STK828668 BDBM50791 MLS002582722 3-(benzenesulfonyl)-1-(2-furanylmethyl)-2-pyrrolo[3,2-b]quinoxalinamine cid_663121 regid861895 AC1LD8T7 MCULE-9715759587 ZINC2392036 1-(furan-2-ylmethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine MolPort-000-634-199 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine F3225-2640 AKOS005613297 MLS000081617 [3-besyl-1-(2-furfuryl)pyrrolo[3,2-b]quinoxalin-2-yl]amine 1-(furan-2-ylmethyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CHEMBL1529652 MolPort-006-808-144 [ Show all ]
Inchi Key	CYWCPVXKHNAXDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16N4O3S/c22-20-19(29(26,27)15-8-2-1-3-9-15)18-21(25(20)13-14-7-6-12-28-14)24-17-11-5-4-10-16(17)23-18/h1-12H,13,22H2
PubChem CID	663121
ChEMBL	CHEMBL1529652
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
53990	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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