BioLiP

PDB

BioLiP

PDB CCD ID:

EGE

Number of entries in BioLiP:

Chemical formula:

C18 H15 N5 O5 S

InChI:

InChI=1S/C18H15N5O5S/c19-14-10-16(24)13(18(25)26)9-15(14)22-21-11-4-6-12(7-5-11)29(27,28)23-17-3-1-2-8-20-17/h1-10,24H,19H2,(H,20,23)(H,25,26)/b22-21+

InChIKey:

KIEQFSOPBAHUOM-QURGRASLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3cc(c(cc3N)O)C(=O)O
CACTVS 3.385	Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O
OpenEye OEToolkits 2.0.6	c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O

Name:

4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]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).