Ligand ID: C04


Drugbank ID:
DB00671
(Cefixime)


Indication:
For use in the treatment of the following infections when caused by susceptible strains of the designated microorganisms: (1) uncomplicated urinary tract infections caused by Escherichia coli and Proteus mirabilis, (2) otitis media caused by Haemophilus influenzae (beta-lactamase positive and negative strains), Moraxella catarrhalis (most of which are beta-lactamase positive), and S. pyogenes, (3) pharyngitis and tonsillitis caused by S. pyogenes, (4) acute bronchitis and acute exacerbations of chronic bronchitis caused by Streptococcus pneumoniae and Haemophilus influenzae (beta-lactamase positive and negative strains), and (5) uncomplicated gonorrhea (cervical/urethral) caused by Neisseria gonorrhoeae (penicillinase- and non-penicillinase-producing strains).

Get human targets for C04 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'C04' 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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		5r7y 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
GLY A 109
GLU A 290
THR A 111
0.98A18.64
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
GLY A 109
GLU A 290
THR A 111
0.99A18.97
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		3 / 3
GLY E 946
GLU D1182
THR E 941
1.20A20.00
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
GLY C 165
GLU B 137
THR B 136
0.92A21.53
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6m71 NSP12
(SARS-CoV-2)		3 / 3
GLY A 616
GLU A 802
THR A 801
1.26A10.24
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
GLY C 107
GLU C 132
THR C 114
0.97A7.92
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6w4b NSP9
(SARS-CoV-2)		3 / 3
GLY B  94
GLU B  69
THR B  68
1.01A19.38
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6w4h NSP16
(SARS-CoV-2)		5 / 10
PHE A6947
TYR A6950
GLY A6953
PHE A6948
LEU A6978
1.70A19.61
ACT  A7104 (-3.8A)
None
None
ACT  A7104 (-4.7A)
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
PHE A6947
TYR A6950
GLY A6953
PHE A6948
LEU A6978
1.70A
EDO  A7102 (-3.8A)
None
None
EDO  A7102 (-4.8A)
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6w75 NSP16
(SARS-CoV-2)		5 / 10
PHE A6947
TYR A6950
GLY A6953
PHE A6948
LEU A6978
1.71A21.51
SAM  A7102 ( 4.8A)
FMT  A7109 ( 4.9A)
None
None
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6w75 NSP16
(SARS-CoV-2)		5 / 10
PHE C6947
TYR C6950
GLY C6953
PHE C6948
LEU C6978
1.70A21.51
FMT  C7115 ( 3.5A)
None
None
FMT  C7115 ( 4.3A)
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
TYR B 268
TYR B 264
GLY B 266
ASN B 267
LEU B 162
1.73A
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
GLY D 284
GLU D 280
THR D 282
1.43A22.54
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
GLY B 284
GLU B 280
THR B 282
1.11A22.54
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
PHE A6947
TYR A6950
GLY A6953
PHE A6948
LEU A6978
1.71A
SAH  A7102 (-4.7A)
None
None
None
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
PHE C6947
TYR C6950
GLY C6953
PHE C6948
LEU C6978
1.73A
SAH  C7102 (-4.6A)
None
None
None
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6wkq NSP16
(SARS-CoV-2)		5 / 10
PHE A6947
TYR A6950
GLY A6953
PHE A6948
LEU A6978
1.71A
SFG  A7103 ( 4.8A)
None
None
None
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6wkq NSP16
(SARS-CoV-2)		5 / 10
PHE C6947
TYR C6950
GLY C6953
PHE C6948
LEU C6978
1.70A
FMT  C7105 ( 3.5A)
None
None
FMT  C7105 ( 4.4A)
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
PHE A6947
TYR A6950
GLY A6953
PHE A6948
LEU A6978
1.69A
SAH  A7101 ( 4.8A)
None
None
None
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		3 / 3
GLY A 163
GLU A 167
THR A 168
0.64A19.75
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
GLY A 109
GLU A 290
THR A 111
0.97A18.97
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		7btf NSP12
(SARS-CoV-2)		3 / 3
GLY A 616
GLU A 802
THR A 801
1.12A10.24
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
GLY A 503
GLU A 665
THR A 538
1.12A10.26
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
GLY A 616
GLU A 802
THR A 801
1.03A10.26
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
GLY A 616
GLU A 802
THR A 801
1.04A10.26
 MG  A1005 ( 4.6A)
None
None