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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	SCHEMBL2348398
Molecular formula	C33H39ClN6O2
IUPAC name	(E)-3-(3-chlorophenyl)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]prop-2-enamide
Molecular weight	587.165
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	4.2
Synonyms	US9340517, 177 CHEMBL3960297 BDBM231790
Inchi Key	AXIUEUSYSMXVQP-AVYIKKKCSA-N
Inchi ID	InChI=1S/C33H39ClN6O2/c34-27-14-7-9-24(21-27)16-17-31(41)38-22-28-18-20-40(32(42)30(39-28)15-8-19-37-33(35)36)23-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,9-14,16-17,21,28-30,39H,8,15,18-20,22-23H2,(H,38,41)(H4,35,36,37)/b17-16+/t28-,30-/m0/s1
PubChem CID	44208748
ChEMBL	CHEMBL3960297
IUPHAR	N/A
BindingDB	231790
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
533975	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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