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BioLiP Library

PDB CCD ID: E8Z
Number of entries in BioLiP: 2
Chemical formula: C18 H15 N O3
InChI: InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
InChIKey: WDCZOLPCRVTBPH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O
CACTVS 3.385Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C
Name:~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
ChEMBL: CHEMBL4209203
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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