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BioLiP

PDB CCD ID: FL8
Number of entries in BioLiP: 4
Chemical formula: C16 H10 Br2 O4
InChI: InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3
InChIKey: GKDYOXMZSXVKPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br
CACTVS 3.341CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3
ACDLabs 10.04Brc3cc(C=2Oc1ccc(O)cc1C(=O)C=2C)cc(Br)c3O
Name:6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE
DrugBank: DB01838
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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