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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	SMR000135892
Molecular formula	C18H20N2O4
IUPAC name	4-(4-hydroxyanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Molecular weight	328.368
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.1
Synonyms	4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-2-(2-phenylethylamino)butanoic acid cid_2954398 AKOS002233810 MCULE-4787415532 ST50101132 4-(4-hydroxyanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid N-(4-hydroxyphenyl)-N~2~-(2-phenylethyl)asparagine HMS1593P18 SR-01000275345 3-[N-(4-hydroxyphenyl)carbamoyl]-2-[(2-phenylethyl)amino]propanoic acid AKOS016300362 MLS000530914 STK975231 4-(4-hydroxyanilino)-4-oxo-2-(phenethylamino)butanoic acid CHEMBL1532210 N~4~-(4-hydroxyphenyl)-N~2~-(2-phenylethyl)asparagine AC1MG2BV HMS2427O04 SR-01000275345-1 4-(4-hydroxyanilino)-4-keto-2-(phenethylamino)butyric acid BDBM96615 MolPort-000-466-708 [ Show all ]
Inchi Key	AJCHUNHYHLURST-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O4/c21-15-8-6-14(7-9-15)20-17(22)12-16(18(23)24)19-11-10-13-4-2-1-3-5-13/h1-9,16,19,21H,10-12H2,(H,20,22)(H,23,24)
PubChem CID	2954398
ChEMBL	CHEMBL1532210
IUPHAR	N/A
BindingDB	96615
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
6772	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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