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-RELATED PROTEINS ONLY

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)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.64A22.85
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)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.45A23.24
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.63A23.05
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.52A23.24
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.60A23.01
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)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.66A23.01
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)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
HIS H 335
ASN G 286
PHE H 316
LEU H 332
THR H 333
1.55A21.21
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)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
ASN A  69
HIS A  70
VAL A  74
LEU A  66
THR A  68
1.40A24.76
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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.61A23.21
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)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.49A23.24
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.41A23.01
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)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.65A23.46
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)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.56A23.10
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)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.64A23.24
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.57A23.24
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.65A23.38
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.66A19.15
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)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.64A23.01
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)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.66A23.30
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.63A23.51
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.53A23.24
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.56A23.01
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.65A23.32
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)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.65A23.31
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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.65A23.94
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)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ASN C 719
HIS C 670
VAL C 659
PHE C 366
VAL C 363
1.46A11.88
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)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN A 304
GLN A 301
LEU C 843
THR C 716
THR C 841
1.56A12.14
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)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN B 304
GLN B 301
LEU C 843
THR C 716
THR C 841
1.51A12.16
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		6jyt HELICASE
(SARSr-CoV)		5 / 12
HIS A 311
VAL A 356
VAL A 305
LEU A 363
THR A 359
1.61A18.08
None