BioLiP

PDB

BioLiP

PDB CCD ID:

P3K

Number of entries in BioLiP:

Chemical formula:

C7 H5 N O2

InChI:

InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H

InChIKey:

XHPDHXXZBWDFIB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(C#N)c1O
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)O)O)C#N

Name:

2,3-bis(oxidanyl)benzenecarbonitrile

ZINC:

ZINC000002581326

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).