SEQ2FUN

BioLiP

PDB CCD ID: EC9
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N4 O2
InChI: InChI=1S/C16H14N4O2/c1-10(21)18-15-9-12(19-14-7-2-3-8-17-14)11-5-4-6-13(22)16(11)20-15/h2-9,22H,1H3,(H2,17,18,19,20,21)
InChIKey: PWXUANZRXPWYEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cc(Nc2ccccn2)c3cccc(O)c3n1
OpenEye OEToolkits 2.0.7CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3
Name:N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
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).