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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	MUSK KETONE
Molecular formula	C14H18N2O5
IUPAC name	1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Molecular weight	294.307
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)- Ketone musk Musk ketone, >=98% 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone SBB066104 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone TL8005426 3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone AC1L1N1M AKOS005524284 CHEMBL1877463 DSSTox_CID_5690 FT-0629036 MCULE-7968040131 NCGC00255386-01 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanon SR-01000324027 2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone W-104216 4'-tert-Butyl-2',5'-dinitroacetophenone 483V3E1L6J Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- BRN 2062638 DTXSID6025690 Ketone moschus Musk ketone 10 microg/mL in Cyclohexane 1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone NSC15339 1-acetyl-4-(tert-butyl)-2,6-dimethyl-3,5-dinitrobenzene STK725128 2,6-Dinitro-3,5-dimethyl-4-acetyl-tertbutylbenzene ZX-AT028251 4-07-00-00808 (Beilstein Handbook Reference) A840051 Acetyl-dinitro-butyl-xylene CCRIS 4677 CTK5E8491 Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]- Ketonmoschus Musk ketone;3-Methylcyclopentadecanone 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)eth SC-06841 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone, 9CI Tox21_301627 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone 4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone AC1Q1JBN AN-42205 DSSTox_GSID_25690 HSDB 7694 MolPort-000-700-122 NSC 15339 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone SR-01000324027-1 2,6-dinitro-3,5-dimethyl-4-acetyl-tert-butyl benzene WXCMHFPAUCOJIG-UHFFFAOYSA-N 4'-Tert-butyl-2',6'-dimethyl-3',5'-dinitro-Acetophenone 6206AF Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- (8CI) C14H18N2O5 EINECS 201-328-9 Ketone Moschus, >=97.0% (N) Musk ketone solution, 100 mug/mL in acetonitrile, analytical standard 1-(4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone PubChem7464 1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene Synthetic Musk ketone 2-Acetyl-5-tert-butyl-4,6-dinitroxylene 4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone AC-11085 AI3-02440 Dinitro-tert-butylxylyl methyl ketone Ethanone,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]- LS-1807 NCGC00164404-01 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one SCHEMBL113330 2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone UNII-483V3E1L6J 4'-tert-Butyl-2', 6'-dimethyl-3',5'-dinitroacetophenone 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone AC1Q1Y9V BBL011671 DSSTox_RID_77882 I06-0322 NSC-15339 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone # ST50409238 2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene ZINC1294932 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone 81-14-1 Acetophenone,6'-dimethyl-3',5'-dinitro- CAS-81-14-1 [ Show all ]
Inchi Key	WXCMHFPAUCOJIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
PubChem CID	6669
ChEMBL	CHEMBL1877463
IUPHAR	N/A
BindingDB	N/A
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
532323	Olfactory receptor 5K1	Q8NHB7	OR5K1	Homo sapiens (Human)	308

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