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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	SMR000211820
Molecular formula	C23H21N5O2
IUPAC name	2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
Molecular weight	399.454
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	AKOS000442244 MolPort-000-824-650 2-methyl-4-[4-(5-nitro-8-quinolyl)piperazino]quinoline CHEMBL1545927 SR-01000452384 A2409/0102076 MCULE-1722260992 STK068794 1-(2-methyl(4-quinolyl))-4-(5-nitro(8-quinolyl))piperazine BDBM83317 Oprea1_580085 2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline cid_2885420 SR-01000452384-1 AC1MEWOU MLS000587739 ZINC18121970 2-methyl-4-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]quinoline HMS2540G07 ST053402 [ Show all ]
Inchi Key	BDDPXUZRHMQXHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N5O2/c1-16-15-22(17-5-2-3-7-19(17)25-16)27-13-11-26(12-14-27)21-9-8-20(28(29)30)18-6-4-10-24-23(18)21/h2-10,15H,11-14H2,1H3
PubChem CID	2885420
ChEMBL	CHEMBL1545927
IUPHAR	N/A
BindingDB	83317
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
20826	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
20825	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
20827	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
20824	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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