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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	SCHEMBL2348895
Molecular formula	C34H39F3N6O2
IUPAC name	(E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight	620.721
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.4
Synonyms	CHEMBL3942434 BDBM231813 US9340517, 200
Inchi Key	ASGHMYKNPGYVBC-DMIICRCOSA-N
Inchi ID	InChI=1S/C34H39F3N6O2/c35-34(36,37)27-16-13-24(14-17-27)15-18-31(44)41-22-28-19-21-43(32(45)30(42-28)12-7-20-40-33(38)39)23-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-18,28-30,42H,7,12,19-23H2,(H,41,44)(H4,38,39,40)/b18-15+/t28-,30-/m0/s1
PubChem CID	57854043
ChEMBL	CHEMBL3942434
IUPHAR	N/A
BindingDB	231813
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
533970	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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