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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	CHEMBL31051
Molecular formula	C28H35N5O5
IUPAC name	3-[[(2R)-2-[[(2S)-2-(benzylcarbamoylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight	521.618
Hydrogen bond acceptor	5
Hydrogen bond donor	6
XlogP	2.4
Synonyms	BDBM50284698 3-[(S)-2-[(S)-2-(3-Benzyl-ureido)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-propionic acid
Inchi Key	HDKNDQYKXXJCQF-BJKOFHAPSA-N
Inchi ID	InChI=1S/C28H35N5O5/c1-18(2)14-23(33-28(38)31-16-19-8-4-3-5-9-19)27(37)32-24(26(36)29-13-12-25(34)35)15-20-17-30-22-11-7-6-10-21(20)22/h3-11,17-18,23-24,30H,12-16H2,1-2H3,(H,29,36)(H,32,37)(H,34,35)(H2,31,33,38)/t23-,24+/m0/s1
PubChem CID	44279408
ChEMBL	CHEMBL31051
IUPHAR	N/A
BindingDB	50284698
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
112050	Endothelin-1 receptor	Q29010	EDNRA	Sus scrofa (Pig)	427

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