Ligand ID: I7A


Drugbank ID:
DB01144
(Diclofenamide)


Indication:
For adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure

Get human targets for I7A in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'I7A' 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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.75A21.51
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.68A21.51
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 268
THR A 201
1.77A23.05
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.67A23.05
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.67A22.82
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.69A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.71A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN C 244
VAL C 247
LEU C 262
THR C 225
THR C 226
1.70A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN C 231
HIS C 246
VAL C 261
LEU C 205
THR C 201
1.68A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.69A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN B 317
GLN B 314
LEU C 861
THR C 734
THR C 859
1.40A11.10
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN B 317
GLN B 314
LEU C 861
THR C 734
THR C 859
1.52A11.66
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.70A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.67A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 214
VAL A 296
VAL A 297
LEU A 253
THR A 257
1.78A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.75A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.77A21.89
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.70A21.89
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.76A22.69
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.77A22.69
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.72A22.69
None
PEG  A 405 (-3.2A)
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.73A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.68A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.69A22.99
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.64A22.99
None