BioLiP

PDB

BioLiP

PDB CCD ID:

I7B

Number of entries in BioLiP:

Chemical formula:

C6 H8 Cl N3 O4 S2

InChI:

InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

InChIKey:

IHJCXVZDYSXXFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N
ACDLabs 10.04	O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N
CACTVS 3.341	Nc1cc(Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O

Name:

4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE

ChEMBL:

CHEMBL266240

ZINC:

ZINC000001530783

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).