SEQ2FUN

BioLiP

PDB CCD ID: LY2
Number of entries in BioLiP: 5
Chemical formula: C19 H17 N O3
InChI: InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKey: CZQHHVNHHHRRDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4
ACDLabs 10.04
CACTVS 3.341		O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
Name:2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE;
2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
ChEMBL: CHEMBL98350
DrugBank: DB02656
ZINC: ZINC000000006014
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).