BioLiP

PDB

BioLiP

PDB CCD ID:

L8Q

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O4

InChI:

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

InChIKey:

KXKCTSZYNCDFFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)[N+](=O)[O-]
CACTVS 3.385	COc1ccc(cc1O)[N+]([O-])=O

Name:

2-methoxy-5-nitro-phenol

ZINC:

ZINC000000295034

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).