SEQ2FUN

BioLiP

PDB CCD ID: DN7
Number of entries in BioLiP: 2
Chemical formula: C12 H9 N O3
InChI: InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)
InChIKey: GKSKQZLHPWBLJL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccnc(c1)Oc2ccc(cc2)C(=O)O
CACTVS 3.385OC(=O)c1ccc(Oc2ccccn2)cc1
ACDLabs 12.01c1cc(ccc1C(O)=O)Oc2ccccn2
Name:4-[(pyridin-2-yl)oxy]benzoic acid
ZINC: ZINC000012370375
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).