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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	CHEMBL139457
Molecular formula	C33H36N4O8S
IUPAC name	(2S,4S)-4-naphthalen-2-yloxy-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Molecular weight	648.731
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	5.2
Synonyms	(2S,4S)-4-(2-Naphthyloxy)-1-[(R)-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Inchi Key	ACSAAMFTGSZBJX-ITHJLQSDSA-N
Inchi ID	InChI=1S/C33H36N4O8S/c1-2-3-4-5-13-27(36-20-30(34-21-36)35-31(38)26-12-8-9-14-29(26)46(42,43)44)32(39)37-19-25(18-28(37)33(40)41)45-24-16-15-22-10-6-7-11-23(22)17-24/h6-12,14-17,20-21,25,27-28H,2-5,13,18-19H2,1H3,(H,35,38)(H,40,41)(H,42,43,44)/t25-,27+,28-/m0/s1
PubChem CID	10258697
ChEMBL	CHEMBL139457
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
1860	Type-1 angiotensin II receptor	P34976	AGTR1	Oryctolagus cuniculus (Rabbit)	359

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