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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	CHEMBL3114495
Molecular formula	C38H53FN6O3S
IUPAC name	3-(3,3-dimethylbutyl)-2-[3-fluoro-2-(4-propan-2-ylpiperazin-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	692.939
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.7
Synonyms	BDBM50447327 SCHEMBL2604089
Inchi Key	AVNPYHOCFYSARF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C38H53FN6O3S/c1-26(2)41-21-23-43(24-22-41)34-29(10-8-11-30(34)39)36-45(20-16-38(3,4)5)35(47)32(49-36)25-33(46)42-17-14-28(15-18-42)44-19-13-27-9-6-7-12-31(27)40-37(44)48/h6-12,26,28,32,36H,13-25H2,1-5H3,(H,40,48)
PubChem CID	59555187
ChEMBL	CHEMBL3114495
IUPHAR	N/A
BindingDB	50447327
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
15426	Calcitonin gene-related peptide type 1 receptor	Q16602	CALCRL	Homo sapiens (Human)	461

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