BioLiP

PDB

BioLiP

PDB CCD ID:

E83

Number of entries in BioLiP:

Chemical formula:

C23 H19 N3 O6 S

InChI:

InChI=1S/C23H19N3O6S/c1-15(27)21(22(28)16-8-3-2-4-9-16)25-24-17-10-7-11-18(14-17)33(31,32)26-20-13-6-5-12-19(20)23(29)30/h2-14,24,26H,1H3,(H,29,30)/b25-21+

InChIKey:

SOWABNTWBBBOPH-NJNXFGOHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)C(=N\Nc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)/C(=O)c3ccccc3
CACTVS 3.385	CC(=O)C(=NNc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)C(=O)c3ccccc3
OpenEye OEToolkits 2.0.7	CC(=O)C(=NNc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)C(=O)c3ccccc3
OpenEye OEToolkits 2.0.7	CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3

Name:

2-[[3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]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).