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BioLiP

PDB CCD ID: BT0
Number of entries in BioLiP: 1
Chemical formula: C19 H16 N2 O4 S
InChI: InChI=1S/C19H16N2O4S/c1-21-15-11-10-14(12-6-5-7-13(18(12)15)19(21)22)20-26(23,24)17-9-4-3-8-16(17)25-2/h3-11,20H,1-2H3
InChIKey: QETWZQZUXAGMTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cccc2c34
OpenEye OEToolkits 2.0.6CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC
Name:2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
ChEMBL: CHEMBL4579153
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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