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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	CHEMBL3114488
Molecular formula	C36H50N6O3S
IUPAC name	3-(3,3-dimethylbutyl)-2-[2-(4-methylpiperazin-1-yl)phenyl]-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
Molecular weight	646.895
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50447323 SCHEMBL2603779
Inchi Key	BVBKKSBNHAKHEX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H50N6O3S/c1-36(2,3)16-20-42-33(44)31(46-34(42)28-10-6-8-12-30(28)39-23-21-38(4)22-24-39)25-32(43)40-17-14-27(15-18-40)41-19-13-26-9-5-7-11-29(26)37-35(41)45/h5-12,27,31,34H,13-25H2,1-4H3,(H,37,45)
PubChem CID	59555331
ChEMBL	CHEMBL3114488
IUPHAR	N/A
BindingDB	50447323
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
33568	Calcitonin gene-related peptide type 1 receptor	Q16602	CALCRL	Homo sapiens (Human)	461

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