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BioLiP

PDB CCD ID: LFW
Number of entries in BioLiP: 13
Chemical formula: C17 H11 I O4
InChI: InChI=1S/C17H11IO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3
InChIKey: OUKFXYLCMXELAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I
CACTVS 3.385Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3
Name:(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
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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