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BioLiP

PDB CCD ID: QZI
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Cl5 O3
InChI: InChI=1S/C10H7Cl5O3/c1-10(2,9(16)17)18-8-6(14)4(12)3(11)5(13)7(8)15/h1-2H3,(H,16,17)
InChIKey: DZRRTVYFYXFKCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
ACDLabs 12.01Clc1c(OC(C)(C)C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl
CACTVS 3.385CC(C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(O)=O
Name:2-methyl-2-(pentachlorophenoxy)propanoic acid
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)(download the PDF file).
  • 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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