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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	CHEMBL172506
Molecular formula	C34H42N6O5
IUPAC name	(2R)-2-[[2-[(1S)-1-(azepane-1-carbonylamino)-3-methylbutyl]-5-[(1-methylindol-3-yl)methyl]-1,3-oxazole-4-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
Molecular weight	614.747
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.6
Synonyms	(R)-2-{[2-{(S)-1-[(Azepane-1-carbonyl)-amino]-3-methyl-butyl}-5-(1-methyl-1H-indol-3-ylmethyl)-oxazole-4-carbonyl]-amino}-3-pyridin-2-yl-propionic acid BDBM50049982
Inchi Key	AUUJKEHPADNLED-RRPNLBNLSA-N
Inchi ID	InChI=1S/C34H42N6O5/c1-22(2)18-26(37-34(44)40-16-10-4-5-11-17-40)32-38-30(31(41)36-27(33(42)43)20-24-12-8-9-15-35-24)29(45-32)19-23-21-39(3)28-14-7-6-13-25(23)28/h6-9,12-15,21-22,26-27H,4-5,10-11,16-20H2,1-3H3,(H,36,41)(H,37,44)(H,42,43)/t26-,27+/m0/s1
PubChem CID	10531851
ChEMBL	CHEMBL172506
IUPHAR	N/A
BindingDB	50049982
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
14993	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
14994	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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