SEQ2FUN

BioLiP

PDB CCD ID: 1UT
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N O2
InChI: InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3
InChIKey: PCKPYMMHFFXBPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(N(C)C)cc2)cccc3
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Name:2-[4-(dimethylamino)phenyl]-4H-chromen-4-one
ChEMBL: CHEMBL2431868
ZINC: ZINC000001042148
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).