BioLiP

PDB

BioLiP

PDB CCD ID:

7G3

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O3

InChI:

InChI=1S/C13H11NO3/c15-12-4-1-9(2-5-12)10-3-6-13(16)11(7-10)8-14-17/h1-8,15-17H/b14-8-

InChIKey:

INQGQXOIWVULMW-ZSOIEALJSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc2ccc(c1cc(\C=N/O)c(O)cc1)cc2
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2ccc(c(c2)C=NO)O)O
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O
CACTVS 3.385	ON=Cc1cc(ccc1O)c2ccc(O)cc2
CACTVS 3.385	O\N=C/c1cc(ccc1O)c2ccc(O)cc2

Name:

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

ZINC:

ZINC000584905390

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).