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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	CHEMBL2031484
Molecular formula	C28H27FN4O2S
IUPAC name	N-[[(2S,3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
Molecular weight	502.608
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.5
Synonyms	BDBM50384422 SCHEMBL15184163
Inchi Key	AIQBJVPTNVSUNF-UZUQRXQVSA-N
Inchi ID	InChI=1S/C28H27FN4O2S/c1-17-6-5-15-33(28(35)25-26(36-18(2)32-25)20-10-12-21(29)13-11-20)23(17)16-31-27(34)22-9-3-7-19-8-4-14-30-24(19)22/h3-4,7-14,17,23H,5-6,15-16H2,1-2H3,(H,31,34)/t17-,23-/m1/s1
PubChem CID	70681619
ChEMBL	CHEMBL2031484
IUPHAR	N/A
BindingDB	50384422
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
6443	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
6444	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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