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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	MLS000028864
Molecular formula	C22H35NO3
IUPAC name	(5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol
Molecular weight	361.526
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.1
Synonyms	(5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol CHEMBL1256923 119477-85-9 (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]hexane-1,5-diol BDBM79408 U-75302 (5R)-6-[6-[(1E,3S,5Z)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol cid_6852392 Opera_ID_1762 (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexane-1,5-diol ZINC4489629 1,5-Hexanediol,6-[6-[(1E,3R,5Z)-3-hydroxy-1,5-undecadien-1-yl]-2-pyridinyl]-,(5S)- HMS2234C08 AC1OAA1D SMR000058935 [ Show all ]
Inchi Key	JNBOAUIJLDEICX-DWJNXXKWSA-N
Inchi ID	InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
PubChem CID	6852392
ChEMBL	CHEMBL1256923
IUPHAR	N/A
BindingDB	79408
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
154964	Leukotriene B4 receptor 1	Q15722	LTB4R	Homo sapiens (Human)	352
460617	Leukotriene B4 receptor 2	Q9NPC1	LTB4R2	Homo sapiens (Human)	358

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