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BioLiP

PDB CCD ID: B0K
Number of entries in BioLiP: 3
Chemical formula: C10 H9 Br4 N3
InChI: InChI=1S/C10H9Br4N3/c11-5-6(12)8(14)10-9(7(5)13)16-4-17(10)3-1-2-15/h4H,1-3,15H2
InChIKey: ZSGVCOITZQLDSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br
CACTVS 3.385NCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Name:3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine
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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