SEQ2FUN

BioLiP

PDB CCD ID: A1H57
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N4 O5 S
InChI: InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
InChIKey: LPQZKKCYTLCDGQ-WEDXCCLWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
OpenEye OEToolkits 2.0.7C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
CACTVS 3.385C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O
Name:tazobactam (2S,3S,5R)
ChEMBL: CHEMBL404
DrugBank: DB01606
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).