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BioLiP

PDB CCD ID: V4N
Number of entries in BioLiP: 1
Chemical formula: C14 H8 Cl N O5
InChI: InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H
InChIKey: IWVMASWCELCYEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O
CACTVS 3.385[O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2
Name:(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
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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