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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	SMR000149318
Molecular formula	C27H24N6
IUPAC name	3-(1-methylbenzimidazol-2-yl)-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine
Molecular weight	432.531
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	3-(1-methyl-2-benzimidazolyl)-1-(3-phenylpropyl)-2-pyrrolo[3,2-b]quinoxalinamine STK713803 900258-16-4 HMS2442C21 3-(1-methyl-1H-benzimidazol-2-yl)-1-(3-phenylpropyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine BDBM41605 MolPort-002-646-811 3-(1-methylbenzimidazol-2-yl)-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine CHEMBL1481335 ZINC8666037 AC1NM3XT MCULE-8961086273 3-(1-Methyl-1H-benzoimidazol-2-yl)-1-(3-phenyl-propyl)-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine C27H24N6 cid_4971561 [3-(1-methylbenzimidazol-2-yl)-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine AKOS005531637 MLS000559002 [ Show all ]
Inchi Key	BQQWMXUYUQDOGR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H24N6/c1-32-22-16-8-7-15-21(22)31-26(32)23-24-27(30-20-14-6-5-13-19(20)29-24)33(25(23)28)17-9-12-18-10-3-2-4-11-18/h2-8,10-11,13-16H,9,12,17,28H2,1H3
PubChem CID	4971561
ChEMBL	CHEMBL1481335
IUPHAR	N/A
BindingDB	41605
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
30570	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353

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