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BioLiP Library

PDB CCD ID: 6IQ
Number of entries in BioLiP: 1
Chemical formula: C13 H8 Cl2 N2 O2 S
InChI: InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
InChIKey: PXUHMEZESKEPKJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ncn2S(=O)(=O)c3cc(ccc3Cl)Cl
Name:1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole
ZINC: ZINC000000051410
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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