e-Drug3D

1566

M CEFTAROLINE

INN
CEFTAROLINE

(is an active metabolite)

cas 700803-62-9

CLASS

ANTIINFECTIVE
ANTIBIOTIC
ANTIBACTERIAL
CEPHALOSPORINS

ROUTE (list)

ATC code

J01DI02

PK parameters

Target

TARGET PENICILLIN-BINDING PROTEIN 1B
PENICILLIN-BINDING PROTEIN 1A
PENICILLIN-BINDING PROTEIN 2A

PDB
3ZG0 (CRYSTAL STRUCTURE OF CEFTAROLINE ACYL-PBP2A FROM MRSA WITH NON- COVALENTLY BOUND CEFTAROLINE AND MURAMIC ACID AT ALLOSTERIC SITE OBTAINED BY COCRYSTALLIZATION)

Ligand code = 1W8 (link to the list of PDB complexes)

Download experimental 3D coordinates of 1W8 with added hydrogens

DrugCentral

Bacterial penicillin-binding protein UNIPROT P02918 mrcA

Download SDF file

Pyridinium, 4-[2-[[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-

Formula:
C22H21N8O5S4

Calculated chemical properties:

MW 604.74
NB_atoms 39
XLogP -0.04
PSA 151.212
NB_HD 3
NB_HA 12
fsp3 0.27
Lipinski(0=no;1=yes) 0

FDA
-