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BioLiP

PDB CCD ID: QOL
Number of entries in BioLiP: 0
Chemical formula: C14 H16 N2 O4
InChI: InChI=1S/C14H16N2O4/c15-12-3-1-2-11-13(20-8-9(5-17)6-18)4-10(7-19)16-14(11)12/h1-4,7,9,17-18H,5-6,8,15H2
InChIKey: NIXSOOMVRIEUBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO
CACTVS 3.385Nc1cccc2c(OCC(CO)CO)cc(C=O)nc12
Name:8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde
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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