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BioLiP

PDB CCD ID: OX4
Number of entries in BioLiP: 3
Chemical formula: C14 H16 F N O3
InChI: InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+
InChIKey: NPVNUGQNVVMJJP-CXUHLZMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O
ACDLabs 10.04O=C(O\N=C\c1ccc(O)c(F)c1)C2CCCCC2
CACTVS 3.341Oc1ccc(\C=N\OC(=O)C2CCCCC2)cc1F
CACTVS 3.341Oc1ccc(C=NOC(=O)C2CCCCC2)cc1F
OpenEye OEToolkits 1.5.0c1cc(c(cc1C=NOC(=O)C2CCCCC2)F)O
Name:3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
DrugBank: DB08334
ZINC: ZINC000016052313
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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