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BioLiP Library

PDB CCD ID: BAC
Number of entries in BioLiP: 0
Chemical formula: C8 H8 I N O
InChI: InChI=1S/C8H8INO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)
InChIKey: FZYBUJWPYZVGKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Ic1ccc(cc1)CNC=O
CACTVS 3.341Ic1ccc(CNC=O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CNC=O)I
Name:N-(4-IODO-BENZYL)-FORMAMIDE
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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