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BioLiP

PDB CCD ID: EJO
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N O2
InChI: InChI=1S/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3
InChIKey: QXAMGWKESXGGNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)c1ccc2C=CC(=O)Oc2c1
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc2c(c1)OC(=O)C=C2
Name:7-(diethylamino)chromen-2-one
ChEMBL: CHEMBL1430816
ZINC: ZINC000000058059
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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