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BioLiP

PDB CCD ID: A5Z
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl2 N O2
InChI: InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3
InChIKey: YDHHKMQOVBJACX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(c1CO)c2c(Cl)cccc2Cl
OpenEye OEToolkits 2.0.6Cc1c(c(no1)c2c(cccc2Cl)Cl)CO
Name:[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
ZINC: ZINC000000075408
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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