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BioLiP

PDB CCD ID: 9ME
Number of entries in BioLiP: 1
Chemical formula: C16 H10 F N O2
InChI: InChI=1S/C16H10FNO2/c17-12-7-5-11(9-15(12)19)16(20)14-8-6-10-3-1-2-4-13(10)18-14/h1-9,19H
InChIKey: JNWWABLECBACFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
CACTVS 3.385Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2
Name:(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
ChEMBL: CHEMBL4171902
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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