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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	CHEMBL31436
Molecular formula	C25H37N5O5
IUPAC name	3-[[(2R)-2-[[(2S)-2-(tert-butylcarbamoylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight	487.601
Hydrogen bond acceptor	5
Hydrogen bond donor	6
XlogP	2.2
Synonyms	BDBM50284702 3-[(S)-2-[(S)-2-(3-tert-Butyl-ureido)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-propionic acid
Inchi Key	ASRMTGCQSRDGBE-VQTJNVASSA-N
Inchi ID	InChI=1S/C25H37N5O5/c1-15(2)12-19(29-24(35)30-25(3,4)5)23(34)28-20(22(33)26-11-10-21(31)32)13-16-14-27-18-9-7-6-8-17(16)18/h6-9,14-15,19-20,27H,10-13H2,1-5H3,(H,26,33)(H,28,34)(H,31,32)(H2,29,30,35)/t19-,20+/m0/s1
PubChem CID	44279338
ChEMBL	CHEMBL31436
IUPHAR	N/A
BindingDB	50284702
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor.

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
13464	Endothelin-1 receptor	Q29010	EDNRA	Sus scrofa (Pig)	427

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