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BioLiP

PDB CCD ID: UKK
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O
InChI: InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2
InChIKey: DETKIRMPBJPJRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2ccc(cn2)N
CACTVS 3.385Nc1ccc(Oc2ccccc2)nc1
Name:6-phenoxy-3-pyridinamine;
6-phenoxypyridin-3-amine
ZINC: ZINC000000158925
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).
  • 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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