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BioLiP Library

PDB CCD ID: 67K
Number of entries in BioLiP: 1
Chemical formula: C11 H8 N2 O2
InChI: InChI=1S/C11H8N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-7H,(H,13,15)
InChIKey: FFOWHRKNAPHKGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(C=O)nc(c1)c2ccccn2
ACDLabs 12.01c2c(c1nc(C=O)cc(c1)O)nccc2
OpenEye OEToolkits 2.0.4c1ccnc(c1)c2cc(cc(n2)C=O)O
Name:4-hydroxy[2,2'-bipyridine]-6-carbaldehyde
ZINC: ZINC000584904694
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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