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BioLiP

PDB CCD ID: 73H
Number of entries in BioLiP: 1
Chemical formula: C16 H12 F N O2
InChI: InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKey: FMQVEHDXVCRVTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
OpenEye OEToolkits 2.0.5c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F
Name:5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione
ChEMBL: CHEMBL5172713
ZINC: ZINC000005423920
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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