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BioLiP

PDB CCD ID: LDW
Number of entries in BioLiP: 2
Chemical formula: C11 H9 F N2 O
InChI: InChI=1S/C11H9FN2O/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14)
InChIKey: GJYQBDCLIHYVSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Oc2ccc(nc2)N)F
CACTVS 3.385Nc1ccc(Oc2ccc(F)cc2)cn1
Name:5-(4-fluoranylphenoxy)pyridin-2-amine
ZINC: ZINC000019869091
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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