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BioLiP

PDB CCD ID: 04Z
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 O4 S2
InChI: InChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKey: WGWGFHMTAVZKKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(OC)c2)N)cc3
OpenEye OEToolkits 1.7.0COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
CACTVS 3.370COc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
Name:4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
ChEMBL: CHEMBL2377818
ZINC: ZINC000095921337
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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