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BioLiP

PDB CCD ID: H32
Number of entries in BioLiP: 1
Chemical formula: C15 H10 F N O4
InChI: InChI=1S/C15H10FNO4/c16-11-6-9(4-5-12(11)18)17-7-8-2-1-3-10(15(20)21)13(8)14(17)19/h1-6,18H,7H2,(H,20,21)
InChIKey: KXNOWKVHICTJLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3
OpenEye OEToolkits 2.0.5c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O
Name:2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid
ZINC: ZINC000584905607
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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