BioLiP

PDB

BioLiP

PDB CCD ID:

PWQ

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O4

InChI:

InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+

InChIKey:

YBTAMVPSZKNTLP-MDWZMJQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=NNC(=O)CCC=O)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(cc1)/C=N/NC(=O)CCC=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O

Name:

4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]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).