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BioLiP

PDB CCD ID: 5LU
Number of entries in BioLiP: 1
Chemical formula: C15 H16 Cl3 N3 O2
InChI: InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
OpenEye OEToolkits 2.0.4CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2
Name:Prochloraz;
~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide
ChEMBL: CHEMBL522782
ZINC: ZINC000000967735
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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