SEQ2FUN

BioLiP

PDB CCD ID: 9KZ
Number of entries in BioLiP: 3
Chemical formula: C14 H15 N O2
InChI: InChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3
InChIKey: ASEYONPNBCGPAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOC(=O)c1c(c2ccccc2nc1C)C
CACTVS 3.385CCOC(=O)c1c(C)nc2ccccc2c1C
Name:ethyl 2,4-dimethylquinoline-3-carboxylate
ChEMBL: CHEMBL1740332
ZINC: ZINC000003382882
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).