SEQ2FUN

BioLiP

PDB CCD ID: 5WY
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N O3
InChI: InChI=1S/C9H9NO3/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H2,10,11)
InChIKey: OIYLTYTXMKZKCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1cccc2OCCOc12
OpenEye OEToolkits 2.0.4c1cc(c2c(c1)OCCO2)C(=O)N
Name:2,3-dihydro-1,4-benzodioxine-5-carboxamide
ChEMBL: CHEMBL3775768
ZINC: ZINC000004271866
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).