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BioLiP

PDB CCD ID: LC8
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N
CACTVS 3.385N[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, Peter L 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).

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