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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	MLS004801940
Molecular formula	C17H24BrN3O3
IUPAC name	methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
Molecular weight	398.301
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.4
Synonyms	SR-02000002300-1 BDBM155095 CYM-50064 SMR003523245 US9682966, 13 SR-02000002300 CHEMBL3186807 SCHEMBL16944499 [ Show all ]
Inchi Key	AEJRXZAXGRDVEN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H24BrN3O3/c1-23-17(22)15-10-12(18)11-19-16(15)21-6-2-13(3-7-21)20-14-4-8-24-9-5-14/h10-11,13-14,20H,2-9H2,1H3
PubChem CID	60156238
ChEMBL	CHEMBL3186807
IUPHAR	N/A
BindingDB	155095
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
463318	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
463319	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
463320	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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