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BioLiP

PDB CCD ID: 5JE
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N4
InChI: InChI=1S/C10H8N4/c1-2-4-9-8(3-1)12-10(13-9)14-6-5-11-7-14/h1-7H,(H,12,13)
InChIKey: RBPYXJCCKORRRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1c2ccccc2nc1n3ccnc3
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c(n2)n3ccnc3
Name:2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE
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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