SEQ2FUN

BioLiP

PDB CCD ID: A1BIM
Number of entries in BioLiP: 2
Chemical formula: C17 H19 N5 O8 S2
InChI: InChI=1S/C17H19N5O8S2/c1-6-4-31-12(21-8(6)13(24)25)10(14(26)27)20-11(23)9(7-5-32-16(18)19-7)22-30-17(2,3)15(28)29/h5,10,12H,1,4H2,2-3H3,(H2,18,19)(H,20,23)(H,24,25)(H,26,27)(H,28,29)/b22-9-/t10-,12+/m0/s1
InChIKey: LORMEESTXGATOD-DGLGDVFNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(ON=C(C(=O)N[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O)c2csc(N)n2)C(O)=O
OpenEye OEToolkits 3.1.0.0CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O
OpenEye OEToolkits 3.1.0.0CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C2N=C(C(=C)CS2)C(=O)O)C(=O)O
CACTVS 3.385CC(C)(O\N=C(/C(=O)N[C@@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(O)=O)c2csc(N)n2)C(O)=O
ACDLabs 14.52OC(=O)C1=NC(SCC1=C)C(NC(=O)C(=N\OC(C)(C)C(=O)O)/c1csc(N)n1)C(=O)O
Name:(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
hydrolyzed ceftazidime without pyridine ring
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).