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BioLiP

PDB CCD ID: K17
Number of entries in BioLiP: 6
Chemical formula: C7 H2 Br4 N2
InChI: InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKey: LOEIRDBRYBHAJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Brc1c(Br)c(Br)c2nc[nH]c2c1Br
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
ACDLabs 10.04Brc2c1c(ncn1)c(Br)c(Br)c2Br
Name:4,5,6,7-TETRABROMO-BENZIMIDAZOLE
ChEMBL: CHEMBL373937
ZINC: ZINC000002528524
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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