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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	CHEMBL77083
Molecular formula	C31H45N5O5
IUPAC name	2-[[(2R)-2-[[2-cyclopropyl-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]acetyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight	567.731
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	4.7
Synonyms	2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-acetylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-hexanoic acid BDBM50051391
Inchi Key	AVDKZALHMMWCNH-MFDHTJENSA-N
Inchi ID	InChI=1S/C31H45N5O5/c1-5-6-13-25(30(39)40)33-28(37)26(17-23-20(4)32-24-14-8-7-12-22(23)24)34-29(38)27(21-15-16-21)35-31(41)36-18(2)10-9-11-19(36)3/h7-8,12,14,18-19,21,25-27,32H,5-6,9-11,13,15-17H2,1-4H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,25?,26-,27?/m1/s1
PubChem CID	44314905
ChEMBL	CHEMBL77083
IUPHAR	N/A
BindingDB	50051391
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
15196	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
15195	Endothelin-1 receptor	Q29010	EDNRA	Sus scrofa (Pig)	427

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