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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	CHEMBL596602
Molecular formula	C30H28FN5O3
IUPAC name	2-[(6S)-6-[(6-fluoro-2H-indazol-3-yl)methyl]-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
Molecular weight	525.584
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50308321 (S)-2-[2,4-Dioxo-3-(6-fluoro-1H-indazol-3-ylmethylene)-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-diazepin-1-yl]-N-isopropyl-N-phenylacetamide
Inchi Key	ACAPSPDLUQSDKO-VWLOTQADSA-N
Inchi ID	InChI=1S/C30H28FN5O3/c1-20(2)36(23-11-7-4-8-12-23)28(37)19-34-15-16-35(22-9-5-3-6-10-22)30(39)25(29(34)38)18-27-24-14-13-21(31)17-26(24)32-33-27/h3-17,20,25H,18-19H2,1-2H3,(H,32,33)/t25-/m0/s1
PubChem CID	46228763
ChEMBL	CHEMBL596602
IUPHAR	N/A
BindingDB	50308321
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
1371	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
1370	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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