BioLiP

PDB

BioLiP

PDB CCD ID:

QBZ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N4 O6 S

InChI:

InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1

InChIKey:

YNFLCWAICZLYCW-QWLAWDEZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O
CACTVS 3.385	C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O
OpenEye OEToolkits 2.0.7	CC(Cn1ccnn1)(C(C(=O)O)N=CCC(=O)O)[S-](=O)=O
CACTVS 3.385	C[C@](Cn1ccnn1)([C@@H](N=CCC(O)=O)C(O)=O)[S-](=O)=O

Name:

(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid;
Tazobactam imine intermediate

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).