Ligand |
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Ligand Name: ceftazidime | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB624 | PubChem: 6857980 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O | ||
Standard InChI: InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/p+1/b26-13-/t14-,18-/m1/s1 | ||
Molecular Formula: C22H23N6O7S2+ | Mol. Weight: 547.10645 | logP: 0.0355 |
HBD: 4 | HBA: 10 | |
#Rotatable Bonds: 9 | TPSA: 188.39 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | Q9L5C7 (Q9L5C7_ECOLX) | Escherichia coli | 6V83 | CAZ |
- |
- |
SHOW |
Beta-lactamase | A0A0A0Q7Z8 (A0A0A0Q7Z8_ENTCL) | Enterobacter cloacae | 6LC9 | CAZ |
- |
- |
SHOW |
Beta-lactamase | Q9L5C7 (Q9L5C7_ECOLX) | Escherichia coli | 6V7T | CAZ |
- |
- |
SHOW |
Beta-lactamase | P00811 (AMPC_ECOLI) | Escherichia coli (strain K12) | 1IEL | CAZ |
- |
- |
SHOW |
Beta-lactamase | Q9L5C7 (Q9L5C7_ECOLX) | Escherichia coli | 6V8V | CAZ |
- |
- |
SHOW |
Beta-lactamase | Q6XEC0 (Q6XEC0_KLEPN) | Klebsiella pneumoniae | 6Q5F | CTJ |
- |
- |
SHOW |
Beta-lactamase OXA-225 | G5DE28 (G5DE28_ACIBA) | Acinetobacter baumannii | 4X55 | CTJ |
- |
- |
SHOW |
Beta-lactamase Toho-1 | Q47066 (BLT1_ECOLX) | Escherichia coli | 2ZQD | CAZ |
- |
- |
SHOW |
Peptidoglycan D,D-transpeptidase FtsI | G3XD46 (FTSI_PSEAE) | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | 3PBO | CAZ |
- |
- |
SHOW |