Ligand ID: 6J3


Drugbank ID:
DB09218
(Clonixin)


Indication:
Used primarily in the treatment of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation.

Get human targets for 6J3 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6J3' 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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 6
LEU F 930
ALA F 926
LEU F 927
SER F 924
THR F 922
1.43A21.43
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 6
LEU K  30
ALA K  26
LEU K  27
SER K  24
THR K  22
1.70A20.87
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 4
LYS J   4
LEU I  44
ALA J   7
LEU I  41
1.43A16.67
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.71A15.93
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		2bez SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.79A19.69
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU C  81
ALA C  69
LEU C  59
SER C  61
1.23A21.79
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LYS B  68
LEU B  39
ALA B  65
SER B  44
1.06A10.49
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
LYS E 382
LEU E 499
ALA E 384
LEU E 421
1.77A20.33
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		3scj ACE2
(Homo
sapiens)		4 / 6
LEU B 424
ALA B 296
LEU B 418
THR B 294
1.29A10.31
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LYS A  68
LEU A  39
ALA A  65
SER A  44
1.05A10.49
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		4m0w UBIQUITIN
(Bos
taurus)		4 / 6
LYS B  48
LEU B  50
ALA B  46
LEU B  67
1.25A20.00
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		4m0w UBIQUITIN
(Bos
taurus)		4 / 4
LYS B  48
LEU B  50
ALA B  46
LEU B  67
1.54A17.73
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		4 / 6
LEU A  81
ALA A  69
LEU A  59
SER A  61
1.30A20.98
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 6
LEU A 113
ALA A 115
LEU A 104
SER A 103
1.29A18.35
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		5e6j POLYUBIQUITIN-B
(synthetic
construct)		4 / 4
LYS C  48
LEU C  50
ALA C  46
LEU C  67
1.44A17.73
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 4
LYS A 325
LEU A 322
ALA A 320
LEU A 519
1.79A12.92
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU B  81
ALA B  69
LEU B  59
SER B  61
1.11A20.98
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU A 636
ALA A 595
LEU A 597
SER A 582
0.71A7.55
LEU  A 636 ( 0.6A)
ALA  A 595 ( 0.0A)
LEU  A 597 ( 0.6A)
SER  A 582 ( 0.0A)
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
LEU B 930
ALA B 926
LEU B 927
SER B 924
THR B 922
1.79A22.83
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU A 636
ALA A 595
LEU A 597
SER A 582
0.74A7.55
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LEU B 636
ALA B 595
LEU B 597
SER B 582
0.70A7.73
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LEU B 636
ALA B 595
LEU B 597
SER B 582
0.55A7.73
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6m18 ACE2
(Homo
sapiens)		4 / 6
LYS D  68
LEU D  39
ALA D  65
SER D  44
0.94A10.45
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU A 636
ALA A 595
LEU A 597
SER A 582
0.95A7.36
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 140
ALA H 151
SER H 146
THR H 149
1.24A22.32
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6nur NSP12
(SARSr-CoV)		4 / 6
LYS A 641
LEU A 575
LEU A 638
SER A 635
1.33A8.27
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		6nus NSP12
(SARSr-CoV)		4 / 4
LYS A 641
LEU A 575
ALA A 639
LEU A 638
1.70A9.76
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6vw1 ACE2
(Homo
sapiens)		4 / 6
LYS B  68
LEU B  39
ALA B  65
SER B  44
1.03A10.31
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
LEU L 135
ALA H 137
SER L 114
THR H 135
1.53A21.39
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
LEU L 136
LEU L 175
SER L 162
THR L 178
1.80A21.39
None
None
GOL  L 301 (-3.2A)
GOL  L 301 (-3.6A)
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
LEU L 135
ALA H 137
SER L 114
THR H 135
1.53A21.39
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 185
LEU L 187
SER L 188
THR L 135
1.70A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU C 185
LEU C 187
SER C 188
THR C 135
1.75A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU C 142
LEU C 181
SER C 168
THR C 184
1.76A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU C 185
LEU C 187
SER C 188
THR C 135
1.76A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 142
LEU L 181
SER L 168
THR L 184
1.76A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU C 142
LEU C 181
SER C 168
THR C 184
1.76A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 185
LEU L 187
SER L 188
THR L 135
1.71A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 142
LEU L 181
SER L 168
THR L 184
1.76A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 181
ALA L 150
LEU L 142
THR L 203
1.29A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 141
ALA H 141
SER L 120
THR H 139
1.70A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 185
LEU L 187
SER L 188
THR L 135
1.80A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 185
LEU L 187
SER L 188
THR L 135
1.78A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 142
LEU L 181
SER L 168
THR L 184
1.75A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 142
LEU L 181
SER L 168
THR L 184
1.75A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU L 181
ALA L 150
LEU L 142
THR L 203
1.29A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU L 185
LEU L 187
SER L 188
THR L 135
1.71A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU L 142
LEU L 181
SER L 168
THR L 184
1.76A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU L 142
LEU L 181
SER L 168
THR L 184
1.75A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU C 185
LEU C 187
SER C 188
THR C 135
1.70A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU C 142
LEU C 181
SER C 168
THR C 184
1.76A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU C 185
LEU C 187
SER C 188
THR C 135
1.69A
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU L 185
LEU L 187
SER L 188
THR L 135
1.70A
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU C 142
LEU C 181
SER C 168
THR C 184
1.77A
None