SEQ2FUN

BioLiP

PDB CCD ID: G3E
Number of entries in BioLiP: 4
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
InChIKey: BERPCVULMUPOER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=C(C(=O)N2)O
CACTVS 3.341OC1=Cc2ccccc2NC1=O
ACDLabs 10.04O=C2C(O)=Cc1c(cccc1)N2
Name:3-hydroxyquinolin-2(1H)-one
ChEMBL: CHEMBL146227
ZINC: ZINC000009592675
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).