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BioLiP

PDB CCD ID: 54F
Number of entries in BioLiP: 5
Chemical formula: C11 H10 N2 O
InChI: InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2
InChIKey: CLQMOPKXIBQKKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccnc(c1)Oc2cccc(c2)N
ACDLabs 12.01O(c1cc(N)ccc1)c2ncccc2
CACTVS 3.370Nc1cccc(Oc2ccccn2)c1
Name:3-(pyridin-2-yloxy)aniline
ZINC: ZINC000012370416
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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