Ligand
Ligand Name:   Ceftaroline
Ligand Type:   non-polymer
Ligand ID:   COVPDB491 PubChem:   10031560
Synonym(s):  
  •   zinc3989269
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N2C1=O)C(O)=O)c1nsc(N)n1
Standard InChI:   InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/p+1/b27-13-/t14-,19-/m1/s1
Molecular Formula:   C22H21N8O5S4+ Mol. Weight:   605.0512 logP:   1.2973
HBD:   3 HBA:   13
#Rotatable Bonds:   9 TPSA:   176.87

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Penicillin binding protein 2 prime A0A0H3JPA5 (A0A0H3JPA5_STAAM) Staphylococcus aureus (strain Mu50 / ATCC 700699) 3ZFZ AI8
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SHOW
Penicillin-binding protein 4 A0A0H2WY27 (A0A0H2WY27_STAAC) Staphylococcus aureus (strain COL) 5TW4 AI8
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SHOW
Penicillin-binding protein 4 A0A0H2WY27 (A0A0H2WY27_STAAC) Staphylococcus aureus (strain COL) 5TW8 AI8
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SHOW