SEQ2FUN

BioLiP

PDB CCD ID: 0RN
Number of entries in BioLiP: 6
Chemical formula: C8 H11 N O5 S
InChI: InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
InChIKey: FKENQMMABCRJMK-RITPCOANSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC1(C)[C@@H](N2[C@@H](CC2=O)[S]1(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C
CACTVS 3.370CC1(C)[CH](N2[CH](CC2=O)[S]1(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C
ACDLabs 12.01O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C
Name:SULBACTAM;
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
ChEMBL: CHEMBL403
DrugBank: DB09324
ZINC: ZINC000000897244
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).