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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	MLS000559003
Molecular formula	C22H22N6O
IUPAC name	1-(3-methoxypropyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
Molecular weight	386.459
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.4
Synonyms	HMS2450M08 [1-(3-methoxypropyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-yl]amine AKOS005531669 1-(3-methoxypropyl)-3-(1-methyl-2-benzimidazolyl)-2-pyrrolo[3,2-b]quinoxalinamine CHEMBL1524932 STK713805 883964-88-3 MCULE-5278361519 1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine BDBM52304 MolPort-002-641-344 1-(3-methoxypropyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine cid_4889526 ZINC17440280 AC1NKK88 MLS-0074980.0001 1-(3-methoxypropyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine SMR000149319 [ Show all ]
Inchi Key	QXNGSBMMEOFHHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
PubChem CID	4889526
ChEMBL	CHEMBL1524932
IUPHAR	N/A
BindingDB	52304
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
289322	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
289323	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
289318	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
289324	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372
289325	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
289320	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
289319	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
289321	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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