Ligand |
||
Ligand Name: Ceftriaxone | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB821 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Nc1nc(cs1)/C(=N/OC)C(=O)N[C@H](C2=O)[C@H](N23)SCC(=C3C([O-])=O)CSc4nc(=O)c(=O)[n-]n4C | ||
Standard InChI: InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32)/p-2/b24-8-/t9-,15-/m1/s1 | ||
Molecular Formula: C18H16N8O7S3-2 | Mol. Weight: 552.0315 | logP: -3.3169 |
HBD: 2 | HBA: 15 | |
#Rotatable Bonds: 8 | TPSA: 216.1 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Probable peptidoglycan D,D-transpeptidase PenA | P08149 (PBP2_NEIGO) | Neisseria gonorrhoeae | 6P54 | NZV |
- |
- |
SHOW |
Beta-lactamase | P9WKD3 (BLAC_MYCTU) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | 6B6D | FZS |
- |
- |
SHOW |
Beta-lactamase | P9WKD3 (BLAC_MYCTU) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | 6B6E | FZS |
- |
- |
SHOW |