SEQ2FUN

BioLiP

PDB CCD ID: 8MJ
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N O2
InChI: InChI=1S/C10H7NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h1-6,13H
InChIKey: SLBPIHCMXPQAIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ccc(nc2c(c1)O)C=O
CACTVS 3.385Oc1cccc2ccc(C=O)nc12
Name:8-oxidanylquinoline-2-carbaldehyde
ChEMBL: CHEMBL2321986
ZINC: ZINC000000488342
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).