Ligand ID: C7H


Drugbank ID:
DB00434
(Cyproheptadine)



Indication:
For treatment of perennial and seasonal allergic rhinitis, vasomotor rhinitis, allergic conjunctivitis due to inhalant allergens and foods, mild uncomplicated allergic skin manifestations of urticaria and angioedema, amelioration of allergic reactions to blood or plasma, cold urticaria, dermatographism, and as therapy for anaphylactic reactions adjunctive to epinephrine.


Get human targets for C7H in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'C7H' 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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.73A20.70
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.38A20.70
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6lu7 MAIN PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.35A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.39A19.38
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.74A19.38
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR B 495
GLY B 404
TYR B 453
GLY B 416
1.37A19.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.40A20.06
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.72A20.06
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)
4 / 5
TYR E 495
GLY E 404
TYR E 453
GLY E 416
1.38A20.00
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR D 182
GLY D 179
TYR D 161
GLY D 146
1.35A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR B 161
GLY B 138
TYR B 126
GLY B 124
1.74A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR C 161
GLY C 138
TYR C 126
GLY C 124
1.71A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR C 182
GLY C 179
TYR C 161
GLY C 146
1.37A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR B 182
GLY B 179
TYR B 161
GLY B 146
1.32A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.31A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.38A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.65A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR B1047
GLY C 885
TYR C 904
GLY C 908
1.25A11.80
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 5
TYR C 453
GLY C 496
TYR C 505
GLY C 504
1.38A19.23
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 5
TYR C 453
GLY C 496
TYR C 505
GLY C 404
1.66A19.23
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)
4 / 5
TYR L  91
GLY H  95
TYR L  32
GLY C 431
1.69A20.16
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 5
GLY C 404
TYR C 453
TYR C 495
GLY C 496
1.73A19.23
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 5
TYR C 495
GLY C 404
TYR C 453
GLY C 416
1.33A19.23
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.76A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.37A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)
4 / 5
TYR B  83
GLY B  38
TYR B  72
TYR B  56
1.62A19.34
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 5
GLY A 120
TYR A 111
TYR A  86
GLY A  85
1.68A16.79
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 5
GLY C 120
TYR C 111
TYR C  86
GLY C  85
1.65A16.79
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 5
GLY B 120
TYR B 111
TYR B  86
GLY B  85
1.66A16.79
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 5
GLY D 120
TYR D 111
TYR D  86
GLY D  85
1.63A16.79
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.77A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.40A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.35A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.70A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6wrh PEPTIDASE C16
(SARS-CoV-2)
4 / 5
TYR A  71
TYR A  72
TYR A  56
GLY A  81
1.57A20.06
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.38A20.70
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 495
GLY E 404
TYR E 453
GLY E 416
1.39A20.71
None
DMS  E 902 (-3.4A)
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
GLY A 404
TYR A 453
TYR A 495
GLY A 496
1.77A20.71
DMS  A 903 (-3.5A)
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR A 495
GLY A 404
TYR A 453
GLY A 416
1.39A20.71
None
DMS  A 903 (-3.5A)
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 453
GLY E 496
TYR E 505
GLY E 504
1.45A20.71
None
MLI  E 903 ( 4.4A)
None
DMS  E 902 ( 4.6A)
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 453
GLY E 496
TYR E 505
GLY E 404
1.60A20.71
None
MLI  E 903 ( 4.4A)
None
DMS  E 902 (-3.4A)
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
GLY E 404
TYR E 453
TYR E 495
GLY E 496
1.77A20.71
DMS  E 902 (-3.4A)
None
None
MLI  E 903 ( 4.4A)
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 453
GLY E 496
TYR E 505
GLY E 504
1.47A20.71
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 453
GLY E 496
TYR E 505
GLY E 404
1.64A20.71
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 495
GLY E 404
TYR E 453
GLY E 416
1.41A20.71
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.38A18.65
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
GLY A 404
TYR A 453
TYR A 495
GLY A 496
1.77A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
GLY E 404
TYR E 453
TYR E 495
GLY E 496
1.77A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 453
GLY E 496
TYR E 505
GLY E 404
1.60A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 453
GLY E 496
TYR E 505
GLY E 504
1.45A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR A 453
GLY A 496
TYR A 505
GLY A 404
1.61A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR A 495
GLY A 404
TYR A 453
GLY A 416
1.39A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR A 453
GLY A 496
TYR A 505
GLY A 504
1.45A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 5
TYR E 495
GLY E 404
TYR E 453
GLY E 416
1.39A20.86
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.77A18.65
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.36A18.65
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.39A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.75A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 161
GLY A 138
TYR A 126
GLY A 124
1.71A20.42
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.40A20.42
None