BioLiP

PDB

BioLiP

PDB CCD ID:

PWT

Number of entries in BioLiP:

Chemical formula:

C13 H16 N2 O4

InChI:

InChI=1S/C13H16N2O4/c16-8-4-3-7-12(17)15-14-9-10-5-1-2-6-11(10)13(18)19/h1-2,5-6,8,14H,3-4,7,9H2,(H,15,17)(H,18,19)

InChIKey:

WAEOIFKXEDZIQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O
CACTVS 3.385	OC(=O)c1ccccc1CNNC(=O)CCCC=O

Name:

2-[[2-(5-oxidanylidenepentanoyl)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).