SEQ2FUN

BioLiP

PDB CCD ID: ZL9
Number of entries in BioLiP: 1
Chemical formula: C20 H24 N2 O5
InChI: InChI=1S/C20H24N2O5/c1-24-18-5-2-3-6-19(18)26-12-10-21-9-4-11-25-15-7-8-17-16(13-15)22-20(23)14-27-17/h2-3,5-8,13,21H,4,9-12,14H2,1H3,(H,22,23)
InChIKey: JIDGHQZPZOREIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccccc1OCCNCCCOc2ccc3c(c2)NC(=O)CO3
CACTVS 3.385COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2
Name:6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one
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).