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BioLiP

PDB CCD ID: DZ3
Number of entries in BioLiP: 2
Chemical formula: C15 H13 Br2 N O3
InChI: InChI=1S/C15H13Br2NO3/c1-7-3-9(4-8(2)13(7)19)15(21)18-10-5-11(16)14(20)12(17)6-10/h3-6,19-20H,1-2H3,(H,18,21)
InChIKey: HHFKUQZPNITQLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br
CACTVS 3.341Cc1cc(cc(C)c1O)C(=O)Nc2cc(Br)c(O)c(Br)c2
ACDLabs 10.04Brc1cc(cc(Br)c1O)NC(=O)c2cc(c(O)c(c2)C)C
Name:N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
ChEMBL: CHEMBL453137
DrugBank: DB07695
ZINC: ZINC000040845789
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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