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BioLiP

PDB CCD ID: 2RB
Number of entries in BioLiP: 4
Chemical formula: C15 H12 Br2 N2 O4
InChI: InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChIKey: BMGXNERTVNWBJG-CNHKJKLMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
ACDLabs 10.04Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c2ccc(OC)cc2
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
CACTVS 3.341COc1ccc(cc1)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O
CACTVS 3.341COc1ccc(cc1)C(=O)N\N=C\c2cc(Br)c(O)c(Br)c2O
Name:N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
ChEMBL: CHEMBL492514
DrugBank: DB06978
ZINC: ZINC000009190152
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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