SEQ2FUN

BioLiP

PDB CCD ID: NVS
Number of entries in BioLiP: 6
Chemical formula: C15 H13 N O4
InChI: InChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3
InChIKey: IBMJKJJMRYHRNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O
ACDLabs 12.01N2(C(Oc1cc(O)ccc1C2)=O)c3ccc(cc3)OC
OpenEye OEToolkits 2.0.4COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O
Name:7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one
ZINC: ZINC000043130039
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).