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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	4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
Molecular formula	C11H11Cl3N2O3
IUPAC name	4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
Molecular weight	325.57
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	4,4,4-tris(chloranyl)-3-(methylamino)-1-(4-nitrophenyl)butan-1-one cid_3739292 STK836647 317335-57-2 BDBM33111 MLS000590271 SR-01000078389 AC1MVVH5 HMS2553H15 UNM-0000306212 C11H11Cl3N2O3 MolPort-000-815-101 4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-butan-1-one CHEMBL1430795 SR-01000078389-1 AKOS001589395 MCULE-4519727251 UNM000011095301 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)-1-butanone CBDivE_005031 SMR000217256 [ Show all ]
Inchi Key	FQIHYTIJLIRZDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3
PubChem CID	3739292
ChEMBL	CHEMBL1430795
IUPHAR	N/A
BindingDB	33111
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
84712	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
84713	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
84711	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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