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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	SCHEMBL2344457
Molecular formula	C33H40N6O3
IUPAC name	(E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-(4-hydroxyphenyl)prop-2-enamide
Molecular weight	568.722
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	3.2
Synonyms	US9340517, 169 CHEMBL3901197 BDBM231782
Inchi Key	AMORVAMTZWXWQL-ILCJSEBQSA-N
Inchi ID	InChI=1S/C33H40N6O3/c34-33(35)36-20-7-12-30-32(42)39(23-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26)21-19-27(38-30)22-37-31(41)18-15-24-13-16-28(40)17-14-24/h1-6,8-11,13-18,27,29-30,38,40H,7,12,19-23H2,(H,37,41)(H4,34,35,36)/b18-15+/t27-,30-/m0/s1
PubChem CID	44208330
ChEMBL	CHEMBL3901197
IUPHAR	N/A
BindingDB	231782
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
533948	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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