BioLiP

PDB

BioLiP

PDB CCD ID:

A1BJX

Number of entries in BioLiP:

Chemical formula:

C14 H12 Cl2 N2 O4 S

InChI:

InChI=1S/C14H12Cl2N2O4S/c1-8-11(15)6-9(7-12(8)16)23(21,22)18-17-14(20)10-4-2-3-5-13(10)19/h2-7,18-19H,1H3,(H,17,20)

InChIKey:

FYJRXAXEURZPJA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(Cl)cc(cc1Cl)[S](=O)(=O)NNC(=O)c2ccccc2O
OpenEye OEToolkits 3.1.0.0	Cc1c(cc(cc1Cl)S(=O)(=O)NNC(=O)c2ccccc2O)Cl
ACDLabs 14.52	Clc1cc(cc(Cl)c1C)S(=O)(=O)NNC(=O)c1ccccc1O

Name:

N'-(3,5-dichloro-4-methylbenzene-1-sulfonyl)-2-hydroxybenzohydrazide

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).