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BioLiP

PDB CCD ID: TBI
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N4 O5 S
InChI: InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1
InChIKey: ANZZKUOZZHRUQC-QZWDGIGVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O
OpenEye OEToolkits 1.5.0CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O
OpenEye OEToolkits 1.5.0C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O
CACTVS 3.341C[C@](Cn1ccnn1)([C@@H](N\C=C\C=O)C(O)=O)[SH](=O)=O
ACDLabs 10.04O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N\C=C\C=O
Name:TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
ZINC: ZINC000096006090
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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