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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	MLS000416520
Molecular formula	C21H19BrN2O6S2
IUPAC name	[2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
Molecular weight	539.415
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.1
Synonyms	[2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate CHEMBL1470802 MCULE-5896462857 SMR000243419 BDBM88607 [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoate 2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetic acid [2-(4-bromoanilino)-2-keto-ethyl] ester cid_2577649 AC1M979B ZINC3457271 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetic acid [2-(4-bromoanilino)-2-oxoethyl] ester HMS2529F18 MolPort-005-843-983 AKOS007950197 [ Show all ]
Inchi Key	AOGPKUWIJLMYCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19BrN2O6S2/c1-24(32(27,28)21-3-2-12-31-21)17-8-10-18(11-9-17)29-14-20(26)30-13-19(25)23-16-6-4-15(22)5-7-16/h2-12H,13-14H2,1H3,(H,23,25)
PubChem CID	2577649
ChEMBL	CHEMBL1470802
IUPHAR	N/A
BindingDB	88607
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
10222	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332

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