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BioLiP

PDB CCD ID: X40
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N5 O3 S2
InChI: InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)
InChIKey: ZDFKJVWFYGHALK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccnc3
ACDLabs 12.01O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
OpenEye OEToolkits 1.7.0c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
Name:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
ChEMBL: CHEMBL2377864
ZINC: ZINC000095920777
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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