BioLiP

PDB

BioLiP

PDB CCD ID:

V4N

Number of entries in BioLiP:

Chemical formula:

C14 H8 Cl N O5

InChI:

InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H

InChIKey:

IWVMASWCELCYEY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O
CACTVS 3.385	[O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2

Name:

(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate

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).