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BioLiP

PDB CCD ID: GB4
Number of entries in BioLiP: 2
Chemical formula: C9 H7 Cl2 N O2
InChI: InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+
InChIKey: LHTLDFWBUPYUDR-DUXPYHPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)C=CC(=O)NO
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO
CACTVS 3.341ONC(=O)C=Cc1ccc(Cl)cc1Cl
CACTVS 3.341ONC(=O)\C=C\c1ccc(Cl)cc1Cl
ACDLabs 10.04Clc1cc(Cl)ccc1/C=C/C(=O)NO
Name:(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE;
2,4-DICHLOROCINNAMYLHYDROXAMATE
ChEMBL: CHEMBL237370
DrugBank: DB07818
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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