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BioLiP

PDB CCD ID: WIF
Number of entries in BioLiP: 1
Chemical formula: C12 H10 Cl2 N2 O3 S2
InChI: InChI=1S/C12H10Cl2N2O3S2/c1-6-4-10(8(14)5-7(6)13)21(18,19)16-9-2-3-20-11(9)12(15)17/h2-5,16H,1H3,(H2,15,17)
InChIKey: KLOZYXVSLAOLHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(cc1Cl)Cl)S(=O)(=O)Nc2ccsc2C(=O)N
ACDLabs 12.01O=S(=O)(Nc1ccsc1C(N)=O)c1cc(C)c(Cl)cc1Cl
CACTVS 3.385Cc1cc(c(Cl)cc1Cl)[S](=O)(=O)Nc2ccsc2C(N)=O
Name:3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide
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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