BioLiP

PDB

BioLiP

PDB CCD ID:

UVO

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O3

InChI:

InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3

InChIKey:

RNBFLAJNUZQUIK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(N=O)c(O)c1
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1)O)N=O
ACDLabs 12.01	O=Nc1ccc(cc1O)OC

Name:

5-methoxy-2-nitrosophenol

ZINC:

ZINC000038821552

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).