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BioLiP

PDB CCD ID: EBC
Number of entries in BioLiP: 1
Chemical formula: C6 H10 I2 N2 O2
InChI: InChI=1S/C6H10I2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)
InChIKey: RLFPCLMBTQOMLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370ICC(=O)NCCNC(=O)CI
OpenEye OEToolkits 1.7.6C(CNC(=O)CI)NC(=O)CI
ACDLabs 12.01O=C(NCCNC(=O)CI)CI
Name:N,N'-ethane-1,2-diylbis(2-iodoacetamide)
ChEMBL: CHEMBL1911792
ZINC: ZINC000004748387
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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