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BioLiP

PDB CCD ID: A1A0I
Number of entries in BioLiP: 1
Chemical formula: C7 H5 I N4
InChI: InChI=1S/C7H5IN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey: BISBCDUUTDMGBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Ic1ccccc1c2n[nH]nn2
ACDLabs 12.01Ic1ccccc1c1n[NH]nn1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2n[nH]nn2)I
Name:5-(2-iodophenyl)-2H-tetrazole
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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