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