BioLiP

PDB

BioLiP

PDB CCD ID:

B4H

Number of entries in BioLiP:

Chemical formula:

C8 H6 N2 O3

InChI:

InChI=1S/C8H6N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H2

InChIKey:

JQVXMNLKFSQZAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=[N+](c1cc(ccc1)C(=O)\N=C)[O-]
OpenEye OEToolkits 1.9.2	C=NC(=O)c1cccc(c1)[N+](=O)[O-]
CACTVS 3.385	[O-][N+](=O)c1cccc(c1)C(=O)N=C

Name:

N-methylidene-3-nitrobenzamide

ZINC:

ZINC000584905519

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).