POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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 through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1
(Homo
sapiens)		5 / 9TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
0.60A39.93
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2okj GLUTAMATE
DECARBOXYLASE 1
(Homo
sapiens)		5 / 9GLY A 378
GLY A 379
MET A 407
VAL A 409
ILE A 236
None
1.17A18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		9 / 9TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
VAL A 160
ASN A 161
GLU A 193
ILE A 194
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
None
FAD  A 232 ( 3.1A)
None
0.31A100.00
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3
(Homo
sapiens)		5 / 9GLY A 349
GLY B 293
VAL A 406
GLU A 315
ILE B 304
None
1.13A13.47
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4cns DIHYDROPYRIMIDINASE-
LIKE 3
(Homo
sapiens)		5 / 9GLY A  21
GLY A  22
TYR A  32
GLU A  59
ILE A  19
None
1.48A19.29
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)		5 / 9GLY A 398
GLY A 399
TYR A 164
GLU A 185
ILE A 184
None
1.07A20.35
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1ea6 PMS1 PROTEIN HOMOLOG
2
(Homo
sapiens)		4 / 5VAL A 187
PHE A 231
ILE A 193
PHE A 320
None
1.06A22.67
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1prx HORF6
(Homo
sapiens)		4 / 5VAL A 136
PHE A  25
ILE A  69
PHE A  14
None
1.01A25.48
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2f73 FATTY ACID-BINDING
PROTEIN, LIVER
(Homo
sapiens)		4 / 5PHE A  50
ILE A  41
PHE A  48
PHE A  63
None
1.06A22.03
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2
(Homo
sapiens)		4 / 5VAL A  38
PHE A  54
ILE A 118
PHE A  61
None
1.02A23.60
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2q6z UROPORPHYRINOGEN
DECARBOXYLASE
(Homo
sapiens)		4 / 5VAL A  33
ILE A  82
PHE A 154
PHE A 217
None
0.77A20.78
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2xnf MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 25
(Homo
sapiens)		4 / 5VAL A 510
PHE A 473
PHE A 522
PHE A 475
None
1.07A20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		5 / 5VAL A  69
PHE A 126
ILE A 128
PHE A 131
PHE A 178
None
TE7  A   1 (-4.3A)
None
None
TE7  A   1 (-3.6A)
0.32A100.00
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4kq8 CYTOCHROME P450 19A1
(Homo
sapiens)		4 / 5PHE A 317
ILE A 471
PHE A 320
PHE A 316
None
1.00A18.79
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5du3 PLASMA PROTEASE C1
INHIBITOR
(Homo
sapiens)		4 / 5VAL A 424
PHE A 457
ILE A 379
PHE A 455
None
1.11A21.12
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2
(Escherichia
coli;
Escherichia
virus
T4;
Homo
sapiens)		4 / 5VAL A1149
ILE A1003
PHE A1004
PHE A1067
None
1.09A16.13
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE
(Homo
sapiens)		5 / 11VAL A 199
PHE A  27
GLY A 130
GLY A 129
ILE A 125
None
GLC  A 295 (-4.1A)
None
None
None
1.39A20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1
(Homo
sapiens)		5 / 11TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
0.49A39.93
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT
(Homo
sapiens)		5 / 11VAL A  50
PHE A 192
GLY A 201
GLY A 200
ILE A  58
None
1.48A23.97
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE
(Homo
sapiens)		5 / 11VAL A 319
PHE A 249
PHE A 252
TRP A 192
ILE A 199
None
1.45A18.99
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens)		5 / 11VAL A 580
PHE A 527
GLY A 475
GLY A 507
ILE A 478
None
1.42A15.21
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		5 / 11VAL A 207
GLY A 216
TYR A 238
ASN A 239
ILE A 202
None
1.45A15.94
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6
(Homo
sapiens)		5 / 11VAL A  71
PHE A 156
PHE A 288
GLY A 269
ASN A 293
None
1.25A24.64
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11VAL A  42
PHE A  69
GLY A 238
GLY A 237
TYR A 231
EDO  A   3 (-3.7A)
None
None
None
None
1.48A23.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		8 / 11TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
ILE A 194
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
None
0.35A100.00
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3zk6 BCL-2-LIKE PROTEIN 1
(Homo
sapiens)		5 / 11PHE A  27
GLY A 148
GLY A 147
MET A 170
GLU A  98
None
1.28A21.70
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4l27 CYSTATHIONINE
BETA-SYNTHASE
(Homo
sapiens)		5 / 11VAL B  90
GLY B 347
TYR B 381
ASN B 380
ILE B 339
None
1.44A17.88
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4nn0 COMPLEMENT C1Q TUMOR
NECROSIS
FACTOR-RELATED
PROTEIN 5
(Homo
sapiens)		5 / 11VAL A 159
PHE A 125
PHE A 227
GLY A 193
GLY A 194
None
1.35A22.08
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4po2 HEAT SHOCK 70 KDA
PROTEIN 1A/1B
(Homo
sapiens)		5 / 11VAL A 442
PHE A 428
GLY A 408
GLY A 407
ASN A 540
None
1.24A20.61
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)		5 / 11GLY A 398
GLY A 399
TYR A 164
GLU A 185
ILE A 184
None
1.17A20.35
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1
(Homo
sapiens)		5 / 11VAL A 264
PHE A 273
PHE A 297
GLY A 364
GLU A 351
None
1.48A21.20
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)		5 / 11VAL A1477
PHE A1489
GLY A1339
TYR A1494
ILE A1342
None
1.16A9.51
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5mms CYSTATHIONINE
BETA-SYNTHASE
(Homo
sapiens)		5 / 11VAL A  90
GLY A 347
TYR A 381
ASN A 380
ILE A 339
None
1.41A21.32
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		5 / 11VAL A 196
PHE A 390
PHE A 389
TRP A 386
ILE A 183
None
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 3.8A)
None
1.32A20.31
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 11PHE A 343
GLY A 282
GLY A 267
ASN A 306
ILE A 236
None
1.40A18.09