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BioLiP

PDB CCD ID: K44
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Br4 N3
InChI: InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3
InChIKey: QHCZROILDUNGRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C
OpenEye OEToolkits 1.5.0C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br
CACTVS 3.341CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23
OpenEye OEToolkits 1.5.0CN1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br
Name:5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE;
N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE
DrugBank: DB04721
ZINC: ZINC000012504481
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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