SEQ2FUN

BioLiP

PDB CCD ID: 30G
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 O2
InChI: InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
InChIKey: PNPBXXNNLJGHBP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)N3CC(=O)NN=C3CO2
CACTVS 3.385O=C1CN2C(=NN1)COc3ccccc23
ACDLabs 12.01O=C3NN=C1N(c2c(OC1)cccc2)C3
Name:3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one
ChEMBL: CHEMBL1968515
ZINC: ZINC000019926414
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).