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BioLiP

PDB CCD ID: NBJ
Number of entries in BioLiP: 1
Chemical formula: C13 H10 F I N2 O3 S
InChI: InChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18)
InChIKey: WRILZXKUOHKYFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I
ACDLabs 12.01C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)=O
CACTVS 3.385Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)c2
Name:N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
ChEMBL: CHEMBL4464519
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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