BioLiP

PDB

BioLiP

PDB CCD ID:

F0M

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O4

InChI:

InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3

InChIKey:

IZLVFLOBTPURLP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cc(ccc1O)N(=O)=O
CACTVS 3.385	COc1cc(ccc1O)[N](=O)=O
ACDLabs 12.01	COc1c(O)ccc(c1)N(=O)=O

Name:

2-methoxy-4-nitrophenol;
4-Nitroguaiacol

ZINC:

ZINC000036072255

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).