BioLiP

PDB

BioLiP

PDB CCD ID:

7G2

Number of entries in BioLiP:

Chemical formula:

C13 H10 F N O3

InChI:

InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-7,16-18H/b15-7+

InChIKey:

ZDSSMGFPICRDHW-VIZOYTHASA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1c(cc(cc1)c2ccc(c(c2)\C=N\O)O)F
CACTVS 3.385	ON=Cc1cc(ccc1O)c2ccc(O)c(F)c2
CACTVS 3.385	O/N=C/c1cc(ccc1O)c2ccc(O)c(F)c2
OpenEye OEToolkits 2.0.6	c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O
OpenEye OEToolkits 2.0.6	c1cc(c(cc1c2ccc(c(c2)F)O)C=NO)O

Name:

3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol

ChEMBL:

CHEMBL475278

ZINC:

ZINC000040935964

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).