SEQ2FUN

BioLiP

PDB CCD ID: LI6
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O3
InChI: InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
InChIKey: BDLJEQMXDNMETQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN1C(=O)C(=C(O)c2ccccc12)O
ACDLabs 10.04O=C2C(O)=C(O)c1c(cccc1)N2C
OpenEye OEToolkits 1.5.0CN1c2ccccc2C(=C(C1=O)O)O
Name:3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE
DrugBank: DB01754
ZINC: ZINC000100031141
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).