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BioLiP

PDB CCD ID: QYZ
Number of entries in BioLiP: 2
Chemical formula: C14 H11 N O2
InChI: InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
InChIKey: DWJWWZSAYOTJGO-XYOKQWHBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(o1)C=C2c3ccccc3NC2=O
CACTVS 3.385Cc1oc(cc1)C=C2C(=O)Nc3ccccc23
OpenEye OEToolkits 2.0.7Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O
CACTVS 3.385Cc1oc(cc1)/C=C2/C(=O)Nc3ccccc23
Name:(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one
ChEMBL: CHEMBL89697
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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