SEQ2FUN

BioLiP

PDB CCD ID: N1E
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChIKey: XSRWQTDEIOHXSL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)c1ccc2c(c1)cccn2
CACTVS 3.385COC(=O)c1ccc2ncccc2c1
Name:methyl quinoline-6-carboxylate
ChEMBL: CHEMBL1596204
ZINC: ZINC000000161652
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).