Ligand ID: 9WT


Drugbank ID:
DB01413
(Cefepime)


Indication:
For the treatment of pneumonia (moderate to severe) caused by Streptococcus pneumoniae, including cases associated with concurrent bacteremia, Pseudomonas aeruginosa, Klebsiella pneumoniae, or Enterobacter species. Also for empiric treatment of febrile neutropenic patients and uncomplicated and complicated urinary tract infections (including pyelonephritis) caused by Escherichia coli or Klebsiella pneumoniae, when the infection is severe, or caused by Escherichia coli, Klebsiella pneumoniae, or Proteus mirabilis, when the infection is mild to moderate, including cases associated with concurrent bacteremia with these microorganisms. Also for the treatment of uncomplicated skin and skin structure infections caused by Staphylococcus aureus (methicillin-susceptible strains only) or Streptococcus pyogenes and complicated intra-abdominal infections (used in combination with metronidazole) caused by Escherichia coli, viridans group streptococci, Pseudomonas aeruginosa, Klebsiella pneumoniae, Enterobacter species, or Bacteroides fragilis.

Get human targets for 9WT in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9WT' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASN A 568
GLN A 570
THR A 680
SER A 682
GLY A 683
1.56A22.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASN A 568
SER A 501
GLY A 559
THR A 540
GLN A 661
1.69A22.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN A 953
SER A 730
GLN A1010
GLN A1011
THR A 732
1.68A21.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN C 953
GLN C1010
GLN C1011
SER C 730
THR C 732
1.61A21.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
ASN H  77
GLN B 111
GLN H   3
THR E 385
GLN C  48
1.61A18.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
ASN B  77
GLN H 111
GLN B   3
THR A 385
GLN L  48
1.63A18.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASN A 459
GLN A 698
THR A 556
SER A 682
THR A 680
1.74A22.13
None