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BioLiP

PDB CCD ID: 15Q
Number of entries in BioLiP: 2
Chemical formula: C13 H9 Cl F N O3
InChI: InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-6,17-19H/b16-6+
InChIKey: CWBFECUIDZXHBY-OMCISZLKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1c2ccc(c(c2Cl)C=NO)O)F)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O
CACTVS 3.370ON=Cc1c(O)ccc(c2ccc(O)c(F)c2)c1Cl
CACTVS 3.370O\N=C\c1c(O)ccc(c2ccc(O)c(F)c2)c1Cl
ACDLabs 12.01Clc2c(c(O)ccc2c1cc(F)c(O)cc1)\C=N\O
Name:2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol
ChEMBL: CHEMBL1782958
ZINC: ZINC000071294751
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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