BioLiP

PDB

BioLiP

PDB CCD ID:

MB1

Number of entries in BioLiP:

Chemical formula:

C6 H5 Cl N2 O4 S

InChI:

InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)

InChIKey:

ZAJALNCZCSSGJC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl
ACDLabs 10.04	O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N
CACTVS 3.341	N[S](=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O

Name:

2-chloro-5-nitrobenzenesulfonamide

ChEMBL:

CHEMBL484510

ZINC:

ZINC000003885125

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).