SEQ2FUN

BioLiP

PDB CCD ID: SOA
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O
InChI: InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
InChIKey: VYFOAVADNIHPTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)CO)N
ACDLabs 10.04OCc1ccccc1N
CACTVS 3.341Nc1ccccc1CO
Name:ISATOIC ANHYDRIDE
ChEMBL: CHEMBL1235999
DrugBank: DB03058
ZINC: ZINC000000331680
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).