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BioLiP

PDB CCD ID: 8OE
Number of entries in BioLiP: 1
Chemical formula: C11 H8 Cl2 N2 O
InChI: InChI=1S/C11H8Cl2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2
InChIKey: PGVMWEHPHKWCFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl
CACTVS 3.385Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
Name:4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline
ZINC: ZINC000022145390
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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