SEQ2FUN

BioLiP

PDB CCD ID: QOX
Number of entries in BioLiP: 2
Chemical formula: C9 H7 N O
InChI: InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey: GIIWGCBLYNDKBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[O-][n+]1cccc2ccccc12
ACDLabs 12.01[O-][n+]1cccc2ccccc21
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc[n+]2[O-]
Name:1-oxo-1lambda~5~-quinoline
ChEMBL: CHEMBL189783
ZINC: ZINC000000157019
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).