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BioLiP

PDB CCD ID: LBQ
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2 O3 S
InChI: InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)
InChIKey: GTFXUNQMJHDIRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(NCc2occc2)cc1
Name:4-(furan-2-ylmethylamino)benzenesulfonamide
ZINC: ZINC000019915549
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)(download the PDF file).
  • 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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