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BioLiP

PDB CCD ID: DZ1
Number of entries in BioLiP: 2
Chemical formula: C15 H13 Br2 N O2
InChI: InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKey: IFECSMFQARKPSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1cc(cc(Br)c1O)NC(=O)c2c(cccc2C)C
CACTVS 3.341Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2
OpenEye OEToolkits 1.5.0Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C
Name:N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
ChEMBL: CHEMBL489657
DrugBank: DB07693
ZINC: ZINC000040949497
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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