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BioLiP

PDB CCD ID: WPK
Number of entries in BioLiP: 1
Chemical formula: C7 H4 Cl F N2
InChI: InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKey: YITVVUARATZCAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cc2nc[nH]c2cc1Cl
ACDLabs 12.01Fc1cc2nc[NH]c2cc1Cl
OpenEye OEToolkits 2.0.7c1c2c(cc(c1Cl)F)nc[nH]2
Name:6-chloro-5-fluoro-1H-benzimidazole
ChEMBL: CHEMBL1430414
ZINC: ZINC000013656634
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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