BioLiP

PDB

BioLiP

PDB CCD ID:

OX4

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O
ACDLabs 10.04	O=C(O\N=C\c1ccc(O)c(F)c1)C2CCCCC2
CACTVS 3.341	Oc1ccc(\C=N\OC(=O)C2CCCCC2)cc1F
CACTVS 3.341	Oc1ccc(C=NOC(=O)C2CCCCC2)cc1F
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C=NOC(=O)C2CCCCC2)F)O

Name:

3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

DrugBank:

DB08334

ZINC:

ZINC000016052313

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).