SEQ2FUN

BioLiP

PDB CCD ID: OCH
Number of entries in BioLiP: 8
Chemical formula: C9 H7 N O
InChI: InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=CC(=O)N2
CACTVS 3.341O=C1Nc2ccccc2C=C1
ACDLabs 10.04O=C2C=Cc1c(cccc1)N2
Name:QUINOLIN-2(1H)-ONE;
2-OXOQUINOLINE
ChEMBL: CHEMBL186422
DrugBank: DB04745
ZINC: ZINC000008579298
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).