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BioLiP Library

PDB CCD ID: A1H0K
Number of entries in BioLiP: 1
Chemical formula: C7 H5 I N2 S
InChI: InChI=1S/C7H5IN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: WMKLSFIAHMBOTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1I)sc(n2)N
CACTVS 3.385Nc1sc2cc(I)ccc2n1
Name:6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine
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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