BioLiP

PDB

BioLiP

PDB CCD ID:

PWW

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O4

InChI:

InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+

InChIKey:

UZWVZLUSNSIXTA-NTEUORMPSA-N

SMILES:

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

Name:

4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]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).