Ligand ID: MIT


Drugbank ID:
DB00278
(Argatroban)


Indication:
Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MIT' 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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
TYR A  37
LEU A 177
ASP A 153
VAL A 104
CYH A 156
1.77A21.82
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
TRP F 340
LEU F 412
GLY F 418
GLY F 368
1.64A19.77
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2ajf ACE2
(Homo
sapiens)		5 / 12
LEU B 179
ASP B 499
SER B 507
VAL B 506
GLY B 173
1.69A18.91
None
CL  B1902 (-4.8A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
HIS B 335
TYR A 334
ASP A 359
GLY A 285
GLY A 279
1.64A17.51
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU C 174
ASP B 109
GLU C 180
GLY C 202
GLY B 161
1.68A22.26
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
GLU E 502
GLY E 418
GLY E 368
1.70A19.78
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
HIS B 335
TYR A 334
ASP A 359
GLY A 285
GLY A 279
1.65A16.09
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU A 248
GLU C 326
SER A 328
VAL A 317
GLY A 243
1.52A21.88
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU A 250
ASP A 239
GLU A 233
GLY A 247
GLY A 246
1.74A20.78
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
HIS A 186
TYR A 211
LEU A 183
GLU A 217
GLY A 221
1.78A21.63
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
TRP E 340
LEU E 412
GLY E 418
GLY E 368
1.77A19.77
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 179
ASP B 499
SER B 507
VAL B 506
GLY B 173
1.78A18.55
None
CL  B 902 (-4.6A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
TRP E 340
LEU E 412
GLY E 418
GLY E 368
1.76A19.77
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
TRP E 340
LEU E 412
GLY E 418
GLY E 368
1.73A20.46
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 118
LEU B 141
SER B 147
VAL B 114
GLY B 124
1.76A22.08
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3i6g HLA, A-2
(Homo
sapiens)		5 / 12
TYR A  99
LEU A 160
GLU D 154
GLY A 162
GLY D 162
1.75A18.73
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.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		3i6k HLA, A-2
(Homo
sapiens)		5 / 9
HIS E  74
ILE E 124
ASP E 119
SER E  11
GLY E 120
1.63A21.69
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR D 182
LEU D 177
GLY D 146
CYH D 145
GLY D  29
1.75A21.90
None
None
None
PJE  E   5 (-2.7A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 118
LEU B 141
VAL B 171
GLY B 138
CYH B 128
1.76A20.19
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
TRP E 340
LEU E 412
GLY E 418
GLY E 368
1.80A20.08
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 179
ASP B 499
SER B 507
VAL B 506
GLY B 173
1.80A18.55
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 12
ASP A 165
SER A 116
VAL A 117
GLY B  75
GLY A 164
1.71A22.53
None
NA  A 402 (-2.8A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 165
SER B 116
VAL B 117
GLY A  75
GLY B 164
1.72A22.26
None
None
None
GLZ  A  76 ( 2.4A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
HIS A 171
LEU A 174
ASP A 164
SER A 167
GLY A 156
1.78A23.75
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A 182
LEU A 177
GLY A 146
CYH A 145
GLY A  29
1.77A20.25
None
None
None
SLH  A 401 (-1.7A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 12
ASP D 165
SER D 116
VAL D 117
GLY E  75
GLY D 164
1.78A22.81
None
None
None
AYE  E  76 (-2.4A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		5 / 12
ASP D 165
SER D 116
VAL D 117
GLY C 154
GLY D 164
1.73A22.62
None
None
None
AYE  C 155 (-2.3A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
TYR A 409
LEU A 441
SER A 583
GLY A 610
GLY A 578
1.46A12.42
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR C 410
TRP C 340
LEU C 412
GLY C 418
GLY C 368
1.56A11.55
TYR  C 410 ( 1.3A)
TRP  C 340 ( 0.5A)
LEU  C 412 ( 0.5A)
GLY  C 418 ( 0.0A)
GLY  C 368 ( 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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR C 410
TRP C 340
LEU C 412
GLY C 418
GLY C 368
1.46A11.55
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6ack ACE2
(Homo
sapiens)		5 / 12
HIS D 241
ASP D 269
VAL D 487
GLY D 448
GLY D 272
1.71A18.91
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER C1012
VAL C1015
TRP C 868
GLY C 871
GLY C 867
1.68A11.45
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.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
TYR A 622
TRP A 619
ILE A 674
GLU A 285
GLY A 587
1.58A11.76
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TYR A 316
LEU A 234
GLY A  51
CYH A  49
GLY A 428
1.79A18.38
None