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BioLiP Library

PDB CCD ID: 9AB
Number of entries in BioLiP: 1
Chemical formula: C15 H16 Br4 N2 O2
InChI: InChI=1S/C15H16Br4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)
InChIKey: OTAXRRBXSSWBKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
OpenEye OEToolkits 2.0.6c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br
Name:8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid
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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