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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	CHEMBL114368
Molecular formula	C28H34N4O4S
IUPAC name	2-[4-[[8-(2-amino-3-sulfanylpropanoyl)-2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]phenyl]benzoic acid
Molecular weight	522.664
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	0.4
Synonyms	BDBM50042270 4''-[8-(2-Amino-3-mercapto-propionyl)-2-butyl-4-oxo-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl]-biphenyl-2-carboxylic acid
Inchi Key	BMSHADILJXFXJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34N4O4S/c1-2-3-8-24-30-28(13-15-31(16-14-28)25(33)23(29)18-37)27(36)32(24)17-19-9-11-20(12-10-19)21-6-4-5-7-22(21)26(34)35/h4-7,9-12,23,37H,2-3,8,13-18,29H2,1H3,(H,34,35)
PubChem CID	44341585
ChEMBL	CHEMBL114368
IUPHAR	N/A
BindingDB	50042270
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
27724	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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