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BioLiP

PDB CCD ID: 3W9
Number of entries in BioLiP: 8
Chemical formula: C11 H15 N O
InChI: InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey: MNFZZNNFORDXSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)c1ccc(C=O)cc1
ACDLabs 12.01O=Cc1ccc(N(CC)CC)cc1
OpenEye OEToolkits 1.9.2CCN(CC)c1ccc(cc1)C=O
Name:4-(diethylamino)benzaldehyde
ChEMBL: CHEMBL3416563
ZINC: ZINC000000157147
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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