BioLiP

PDB

BioLiP

PDB CCD ID:

DZI

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O4

InChI:

InChI=1S/C12H11N3O4/c16-9-4-7(5-10(17)11(9)18)12(19)15-14-6-8-2-1-3-13-8/h1-6,13,16-18H,(H,15,19)/b14-6+

InChIKey:

RPKVALFTHLQJDU-MKMNVTDBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc([nH]c1)C=NNC(=O)c2cc(c(c(c2)O)O)O
OpenEye OEToolkits 2.0.7	c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O
CACTVS 3.385	Oc1cc(cc(O)c1O)C(=O)NN=Cc2[nH]ccc2
CACTVS 3.385	Oc1cc(cc(O)c1O)C(=O)N\N=C\c2[nH]ccc2

Name:

3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide;
N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone

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).