BioLiP

PDB

BioLiP

PDB CCD ID:

TAZ

Number of entries in BioLiP:

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-/m0/s1

InChIKey:

LPQZKKCYTLCDGQ-NRPADANISA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
OpenEye OEToolkits 1.5.0	CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
CACTVS 3.341	C[C@]1(Cn2ccnn2)[C@@H](N3[C@H](CC3=O)[S]1(=O)=O)C(O)=O
ACDLabs 10.04	O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(Cn3nncc3)C

Name:

TAZOBACTAM

ZINC:

ZINC000003831502

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).