BioLiP

PDB

BioLiP

PDB CCD ID:

LC8

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O5 S

InChI:

InChI=1S/C11H11N3O5S/c12-20(17,18)9-3-4-10(11(6-9)14(15)16)13-7-8-2-1-5-19-8/h1-6,13H,7H2,(H2,12,17,18)

InChIKey:

NJOZGYRHKPIPKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N+]([O-])=O

Name:

4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide

ZINC:

ZINC000004116630

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).