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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	CHEMBL426413
Molecular formula	C30H40N6O4
IUPAC name	2-[(1R)-1-[[(2S)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
Molecular weight	548.688
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	4.2
Synonyms	2-[(R)-1-[(S)-2-(3-Bicyclo[2.2.1]hept-2-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-1H-imidazole-4-carboxylic acid BDBM50050013 SCHEMBL9112569
Inchi Key	BALHDHSGMQLEOZ-URYGNDJSSA-N
Inchi ID	InChI=1S/C30H40N6O4/c1-16(2)11-24(34-30(40)33-22-13-18-9-10-19(22)12-18)28(37)32-23(27-31-17(3)26(35-27)29(38)39)14-20-15-36(4)25-8-6-5-7-21(20)25/h5-8,15-16,18-19,22-24H,9-14H2,1-4H3,(H,31,35)(H,32,37)(H,38,39)(H2,33,34,40)/t18?,19?,22?,23-,24+/m1/s1
PubChem CID	44387111
ChEMBL	CHEMBL426413
IUPHAR	N/A
BindingDB	50050013
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
18965	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
18966	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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