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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.
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Ligand

Name	80-54-6
Molecular formula	C14H20O
IUPAC name	3-(4-tert-butylphenyl)-2-methylpropanal
Molecular weight	204.313
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.9
Synonyms	AC1L5GMT Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl- EC 201-289-8 Lilialdehyde MolPort-001-791-540 NSC22275 2-[(4-tert-Butylphenyl)methyl]propanal Propionaldehyde, .beta.-(4-tert-butylphenyl)-.alpha.-methyl- 3-(4-tert-Butylphenyl)isobutyraldehyde SDQFDHOLCGWZPU-UHFFFAOYSA-N 4-tert-butyl-.alpha.-methyl hydrocinnamic aldehyde X-2147 AKOS005522624 Benzenepropanal, 4-[1,1-dimethylethyl]-.alpha.-methyl- DS-17933 I14-8028 lily aldehyde NCGC00091024-03 2-(4-tert-Butylbenzyl)propionaldehyde p-tert-Butyl-.alpha.-methylhydrocinnamaldehyde 3-(4-tert-butyl-phenyl)-2-methyl-propionaldehyde RP26100 3-(p-tert.butyl-phenyl)-2-methyl-propionaldehyde STK709232 4-tert-Butyl-\|A-methyl-benzenepropanal ANW-37378 Butylphenyl methylpropional DSSTox_RID_78125 Lilestralis MCULE-9225317698 NSC 22275 2-methyl-3-(4-tert-butylphenyl) propanal p-tert.butyl-alpha-methyl-hydrocinnamaldehyde 3-(4-tert-Butylphenyl)-2-methylpropanal # SC-74649 39390-70-0 TR-031277 AC1Q1QYX Benzenepropanal, 4-(tert-butyl)-alpha-methyl- CHEMBL1496715 FT-0619488 liliale NCGC00091024-01 .alpha.-Methyl, .beta.-(p-tert-butylphenyl)propionaldehyde p-t-Butyl-.alpha.-methylhydrocinnamaldehyde 3-(4-(tert-Butyl)phenyl)-2-methylpropanal Protectol PP (Lilial) 3-(p-tert.-butyl-phenyl)-2-methyl-propionaldehyde ST24041450 4-tert-Butyl-alpha-methyldihydrocinnamaldehyde Aldehyde MBDC Benzenepropanal,1-dimethylethyl)-.alpha.-methyl- DSSTox_CID_6500 KB-178275 Lilyal NCGC00257026-01 2-(4-tert-Butylbenzyl)propionaldehyde, analytical standard p-tert-Butyl-.alpha.-methylhydrocinnamic aldehyde 3-(4-tert-butylphenyl)-2-methyl-propanal RTR-031277 3-(p-tert.butylphenyl)-2-methyl-propionaldehyde Tox21_201412 4-tert-Butyl-\|A-methyl-hydrocinnamaldehyde B1145 CAS-80-54-6 DTXSID9026500 Lilial methyl butyldihydrocinnamaldehyde NSC-22275 2-methyl-3-(4-tert-butylphenyl)-propanal Propanal, .alpha.-methyl-.beta.-(p-tert.-butylphenyl)- 3-(4-tert-Butylphenyl)-2-methylpropionaldehyde SCHEMBL81866 4-07-00-00802 (Beilstein Handbook Reference) WLN: VHY1&1R DX1&1&1 A839940 ACMC-209pjo Benzenepropanal, 4-tert-butyl-.alpha.-methyl- CTK8B2342 Hydrocinnamaldehyde, p-tert-butyl-.alpha.-methyl- Lillial NCGC00091024-02 .alpha.-Methyl-p-(tert-butyl)hydrocinnamaldehyde p-t-Butyl-alpha-methylhydrocinnamaldehyde 3-(4-t-butylphenyl)-2-methylpropionaldehyde Q-201305 3-(p-tert.-butylphenyl)-2-methylpropanal ST4142856 4-tert-butyl-alpha-methylhydrocinnamaldehyde AN-24028 beta-3-(4-tert-Butylphenyl)isobutyraldehyde DSSTox_GSID_26500 KS-00000NAX Lilyaldehyde NCGC00258963-01 2-(4-tert-Butylbenzyl)propionaldehydeanalytical standard p-tert-Butyl-\|A-methylhydrocinnamaldeh 3-(4-tert-Butylphenyl)-2-methylpropanal S657 3-[4-(tert-butyl)phenyl]-2-methylpropanal Tox21_303107 75166-25-5 [ Show all ]
Inchi Key	SDQFDHOLCGWZPU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3
PubChem CID	228987
ChEMBL	CHEMBL1496715
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
530272	Olfactory receptor 5K1	Q8NHB7	OR5K1	Homo sapiens (Human)	308
311693	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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