SEQ2FUN

BioLiP

PDB CCD ID: FYG
Number of entries in BioLiP: 3
Chemical formula: C7 H11 N3 O6 S
InChI: InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
InChIKey: NDCUAPJVLWFHHB-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O
OpenEye OEToolkits 2.0.6C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N
OpenEye OEToolkits 2.0.6C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N
CACTVS 3.385NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O)=O
CACTVS 3.385NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2O[S](O)(=O)=O
Name:(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;
Avibactam
ChEMBL: CHEMBL1689063
DrugBank: DB09060
ZINC: ZINC000009302239
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).