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BioLiP

PDB CCD ID: 89C
Number of entries in BioLiP: 4
Chemical formula: C17 H15 N O4
InChI: InChI=1S/C17H15NO4/c1-18(11-7-8-16(21-2)14(19)9-11)13-10-17(20)22-15-6-4-3-5-12(13)15/h3-10,19H,1-2H3
InChIKey: RYPRBMJTFFTZNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23
OpenEye OEToolkits 2.0.6CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3
Name:4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one
ChEMBL: CHEMBL4444361
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).
  • 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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