BioLiP

PDB

BioLiP

PDB CCD ID:

EO8

Number of entries in BioLiP:

Chemical formula:

C15 H9 N O7

InChI:

InChI=1S/C15H9NO7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)

InChIKey:

WDYTXQOHLZPDFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O

Name:

4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid

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).