SEQ2FUN

BioLiP

PDB CCD ID: LJ5
Number of entries in BioLiP: 2
Chemical formula: C13 H9 Br2 N O2
InChI: InChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
InChIKey: HKODPZBPODONGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1cc(cc(Br)c1O)NC(=O)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br
CACTVS 3.341Oc1c(Br)cc(NC(=O)c2ccccc2)cc1Br
Name:N-(3,5-dibromo-4-hydroxyphenyl)benzamide
ChEMBL: CHEMBL452648
DrugBank: DB08104
ZINC: ZINC000000945266
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).