Ligand ID: COX


Drugbank ID:
DB00580
(Valdecoxib)


Indication:
For the treatment of osteoarthritis and dysmenorrhoea

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'COX' 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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.46A23.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 916
VAL A1170
LEU C 920
THR C 922
THR C 923
1.54A20.88
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.51A23.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE K  16
VAL J  22
LEU I  20
THR I  22
THR I  23
1.58A11.60
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.56A22.78
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 916
VAL D1171
LEU A 920
THR A 922
THR A 923
1.55A8.11
ACE  B 913 ( 3.9A)
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ILE D 321
PHE D 316
LEU C 354
LEU C 340
THR D 330
1.55A21.29
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
ILE A  91
HIS A  70
VAL A  74
LEU A  66
THR A  68
1.47A22.32
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
ILE A  91
VAL A  74
LEU A  66
THR A  68
THR A  68
1.47A22.32
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
LEU B 165
VAL B 161
LEU B 136
THR B 134
THR B 135
1.40A21.22
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
VAL A  62
PHE A  23
LEU A  25
VAL A  52
LEU A  36
1.42A17.36
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		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
1.60A22.99
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.49A23.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.59A22.99
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.55A23.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
ILE C  29
GLN C  90
HIS B  35
VAL C  92
THR B 100
1.55A20.99
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
HIS B 401
VAL B 404
PHE B 315
LEU B 554
LEU B 558
1.58A19.22
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.54A23.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN D 244
VAL D 247
LEU D 262
THR D 225
THR D 226
1.60A19.15
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.59A22.78
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
ILE E 124
LEU E 156
VAL E 152
LEU G   6
THR E  73
1.57A22.56
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.59A23.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ILE B 397
VAL B 316
PHE B 326
LEU B 519
THR B 516
1.53A19.62
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE B 345
VAL B 382
PHE B 325
LEU B 499
LEU B 374
1.34A11.81
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN A 523
VAL A 525
LEU A 538
LEU A 519
THR A 517
1.51A12.16
GLN  A 523 ( 0.6A)
VAL  A 525 ( 0.6A)
LEU  A 538 ( 0.6A)
LEU  A 519 ( 0.6A)
THR  A 517 ( 0.8A)
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE C 345
VAL C 382
PHE C 325
LEU C 499
LEU C 374
1.31A12.16
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL C 594
LEU C 283
LEU C 286
THR C 302
TRP C 619
1.50A11.73
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL C 594
LEU C 283
LEU C 286
THR C 302
TRP C 619
1.50A11.85
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
ILE A 124
HIS B  31
LEU A  81
LEU A  95
THR A  94
1.59A21.09
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ILE A 109
PHE A 133
LEU A   7
VAL A 103
LEU A  25
1.52A18.08
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6m1d ACE2
(Homo
sapiens)		5 / 12
ILE D 233
VAL D 226
LEU D 520
THR D 517
THR D 519
1.54A15.48
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 594
LEU B 283
LEU B 286
THR B 302
TRP B 619
1.50A12.27
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS L  98
VAL L   2
PHE L 103
LEU L   4
THR L  36
1.52A22.93
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 12
ILE C  39
LEU C  13
VAL C  12
LEU D  95
THR D  93
1.24A15.61
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 12
VAL A 330
LEU B 117
VAL B 115
THR B 123
THR B 124
1.42A13.49
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
HIS L 189
VAL L 150
PHE L 209
LEU L 179
LEU L 181
1.63A22.35
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS L 195
VAL L 156
PHE L 215
LEU L 185
LEU L 187
1.63A
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS C 195
VAL C 156
PHE C 215
LEU C 185
LEU C 187
1.63A
MLI  C 305 (-3.4A)
MLI  C 305 ( 4.5A)
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS L 195
VAL L 156
PHE L 215
LEU L 185
LEU L 187
1.66A
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
HIS C 195
VAL C 156
PHE C 215
LEU C 185
LEU C 187
1.63A
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
HIS L 195
VAL L 156
PHE L 215
LEU L 185
LEU L 187
1.62A
None