SEQ2FUN

BioLiP

PDB CCD ID: I6W
Number of entries in BioLiP: 0
Chemical formula: C14 H12 N2 O4
InChI: InChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-12(16-8-10)11-5-3-9(7-15-11)13(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKey: FZDQJVHCAWGPRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(O)=O
ACDLabs 12.01O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1
OpenEye OEToolkits 2.0.7CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(=O)O
Name:ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate
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).