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BioLiP

PDB CCD ID: ET2
Number of entries in BioLiP: 2
Chemical formula: C7 H6 F N3
InChI: InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKey: MKYGXXIXMHTQFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1[nH]c2cc(F)ccc2n1
OpenEye OEToolkits 1.7.0c1cc2c(cc1F)[nH]c(n2)N
Name:6-fluoro-1H-benzimidazol-2-amine
ZINC: ZINC000054405088
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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