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BioLiP

PDB CCD ID: OX3
Number of entries in BioLiP: 4
Chemical formula: C14 H17 N O3
InChI: InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
InChIKey: YWZBYSBZDQWXGQ-XNTDXEJSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)\C=N\OC(=O)C2CCCCC2
CACTVS 3.341Oc1ccc(cc1)C=NOC(=O)C2CCCCC2
ACDLabs 10.04O=C(O\N=C\c1ccc(O)cc1)C2CCCCC2
OpenEye OEToolkits 1.5.0c1cc(ccc1C=NOC(=O)C2CCCCC2)O
Name:4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
ChEMBL: CHEMBL253951
DrugBank: DB08333
ZINC: ZINC000038624499
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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