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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))
1t2f L-LACTATE
DEHYDROGENASE B
CHAIN
(Homo
sapiens)
5 / 9VAL A  26
GLY A  27
ASP A  52
TYR A  83
ALA A  96
None
NAD  A 401 ( 4.5A)
NAD  A 401 (-2.5A)
None
NAD  A 401 ( 4.1A)
0.59A30.81
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))
3lpp SUCRASE-ISOMALTASE
(Homo
sapiens)
5 / 9VAL A 434
GLY A 437
ILE A 431
TYR A 441
ILE A 480
None
1.17A16.99
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))
4md8 CASEIN KINASE II
SUBUNIT ALPHA
(Homo
sapiens)
5 / 9VAL E 293
ASP E 130
ILE E 133
ALA E 297
PHE E 324
None
1.19A20.95
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))
4yj5 PYRUVATE KINASE PKM
(Homo
sapiens)
5 / 9VAL A 509
GLY A 426
ALA A 427
PHE A 470
ILE A 451
None
None
None
SER  A 603 (-4.3A)
None
0.97A21.32
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2
(Homo
sapiens)
5 / 9VAL B 410
GLY B 409
ILE B 456
TYR B 450
PHE B 468
None
1.17Aundetectable
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1jqe HISTAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)
5 / 12GLY A  61
TYR A  98
ILE A  59
VAL A 172
PHE A  19
SAH  A 400 ( 4.1A)
None
None
None
SAH  A 400 (-3.9A)
1.27A23.38
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE
(Homo
sapiens)
5 / 12GLY A 298
GLY A 297
ILE A 307
VAL A 275
ILE A 281
None
1.03A19.95
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE
(Homo
sapiens)
5 / 12GLY A 130
GLY A 129
ILE A 125
VAL A 199
PHE A  35
None
1.28A20.88
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10
(Homo
sapiens)
5 / 12GLY A 112
TYR A 375
GLU A 156
ILE A 371
ILE A 115
None
None
UDP  A 705 (-3.6A)
None
None
1.18A16.19
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2fbm Y CHROMOSOME
CHROMODOMAIN PROTEIN
1, TELOMERIC ISOFORM
B
(Homo
sapiens)
5 / 12GLY A 344
VAL A 318
PHE A 334
ILE A 398
PHE A 341
None
1.04A22.68
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2
(Homo
sapiens)
5 / 12GLY A  64
VAL A  38
PHE A  54
ILE A 118
PHE A  61
None
1.00A22.91
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)
5 / 12GLY A  44
GLY A  45
TYR A  69
VAL A 114
PHE A  11
None
1.15A16.81
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2x5y ZINC FINGER
CCCH-TYPE ANTIVIRAL
PROTEIN 1
(Homo
sapiens)
5 / 12GLY A 848
MET A 778
VAL A 876
PHE A 880
ILE A 879
None
1.17A20.09
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2yup VINEXIN
(Homo
sapiens)
5 / 12GLY A  64
ILE A  45
VAL A  73
PHE A  36
ILE A  42
None
1.27A15.45
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3k77 DNA REPAIR PROTEIN
XRCC1
(Homo
sapiens)
5 / 12GLY A 143
ASN A  62
ILE A  43
VAL A   9
ILE A 130
None
1.28A19.40
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)
5 / 12GLY A1209
GLY A1210
VAL A1047
PHE A1050
ILE A1121
None
1.26A19.96
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6
(Homo
sapiens)
5 / 12GLY A 269
ASN A 293
VAL A  71
PHE A 156
PHE A 288
None
1.23A24.28
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE
(Homo
sapiens)
5 / 12GLY B 413
GLY B 412
ILE B 407
VAL B 213
ILE B 206
None
1.27A19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
7 / 12GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
ILE A 194
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
None
0.36A98.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
5 / 12VAL A  69
GLN A 122
PHE A 126
ILE A 128
PHE A 178
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
0.51A98.28
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)
5 / 12GLY B 300
MET B  30
VAL B 133
ILE B  35
PHE B 109
ACT  B 601 ( 4.8A)
None
None
None
None
1.16A20.00
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4)
5 / 12GLY A1315
ASN A1312
PHE A1208
ILE A1121
PHE A1290
None
P0G  A1401 (-2.9A)
None
None
P0G  A1401 ( 4.9A)
1.28A20.89
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)
5 / 12GLY A 398
GLY A 399
TYR A 164
GLU A 185
ILE A 184
None
1.13A20.35
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4y7i MYOTUBULARIN-RELATED
PROTEIN 8
(Homo
sapiens)
5 / 12GLY A 365
VAL A 483
PHE A 417
ILE A 354
PHE A 419
None
1.25A20.43
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)
5 / 12GLY A1339
TYR A1494
ILE A1342
VAL A1477
PHE A1489
None
1.18A9.80
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
DNA POLYMERASE ALPHA
SUBUNIT B
(Homo
sapiens;
Homo
sapiens)
5 / 12GLU C 615
ILE C 558
VAL C 653
GLN D 248
PHE C 642
None
1.25A12.21
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5gve DNA TOPOISOMERASE
3-BETA-1
(Homo
sapiens)
5 / 12GLY A 541
ASN A 539
GLN A 196
PHE A 200
ILE A 212
None
1.26A18.06
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens)
5 / 11HIS A 160
PHE A  97
GLY A 390
TYR A 394
GLU A 367
CU  A1741 (-3.5A)
None
None
None
None
1.33A15.06
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens)
5 / 11HIS A 515
PHE A 476
ILE A 478
GLY A 556
GLY A 553
None
552  A 901 (-3.5A)
None
None
None
1.40A15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
6 / 11GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
0.15A98.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
5 / 11HIS A  72
GLN A 122
PHE A 126
ILE A 128
PHE A 178
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
0.21A98.28
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5gve DNA TOPOISOMERASE
3-BETA-1
(Homo
sapiens)
5 / 11GLN A 196
PHE A 200
ILE A 212
GLY A 541
ASN A 539
None
1.42A18.06
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5k1c WD REPEAT-CONTAINING
PROTEIN 48
(Homo
sapiens)
5 / 11HIS B 374
PHE B 507
GLY B 463
GLY B 464
ASN B 504
None
1.45A17.96
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5w21 FIBROBLAST GROWTH
FACTOR 23
(Homo
sapiens)
5 / 11HIS B  52
GLN B  67
PHE B 169
GLY B  38
GLY B  37
None
1.25Aundetectable
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN
(Homo
sapiens)
4 / 5GLY C 102
GLY C 101
ASN C  97
GLU C 106
None
1.16A17.05
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1ntg TYROSYL-TRNA
SYNTHETASE
(Homo
sapiens)
4 / 5GLY A 166
GLY A 167
ASN A 168
GLU A 141
None
1.17A21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
5 / 5GLY A 149
GLY A 150
MET A 154
ASN A 161
GLU A 193
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
FAD  A 232 ( 3.1A)
0.17A98.28
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3zk6 BCL-2-LIKE PROTEIN 1
(Homo
sapiens)
4 / 5GLY A 148
GLY A 147
MET A 170
GLU A  98
None
1.14A22.32
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4hyy MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG
(Homo
sapiens)
4 / 5GLY A 290
GLY A 289
MET A 226
ASN A 268
None
1.05A22.50
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4p0j INTERLEUKIN-36
RECEPTOR
ANTAGONIST/INTERLEUK
IN-36 GAMMA CHIMERA
PROTEIN
(Homo
sapiens)
4 / 5GLY A  63
GLY A  64
ASN A  84
GLU A  41
None
0.51A21.66
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4u2n ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17,NUCLEUS
ACCUMBENS-ASSOCIATED
PROTEIN 1
(Homo
sapiens)
4 / 5GLY A  71
GLY A  69
ASN A  66
GLU A  75
None
1.11A19.77
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)
4 / 5GLY A  79
GLY A  78
ASN A  98
GLU A  82
None
1.00A9.80
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5la7 HEPARANASE
(Homo
sapiens)
4 / 5GLY A  95
GLY A  96
ASN A  64
GLU A 221
None
6S6  A 613 (-3.2A)
None
None
1.10A18.18
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)
4 / 5GLY A2201
GLY A2200
MET A2373
GLU A2205
None
None
ATP  A4802 (-3.4A)
None
1.31A4.40
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D
(Homo
sapiens)
4 / 5GLY 0  67
GLY 0  68
ASN 0 181
GLU 0  46
None
0.90A17.72
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5wvo DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)
4 / 5GLY C 451
GLY C 452
ASN C 383
GLU C 450
None
1.00A22.34
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1tye INTEGRIN BETA-3
(Homo
sapiens)
4 / 8GLY B 221
PHE B 248
ILE B 226
PHE B 308
None
0.80A19.47
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1zc4 RAS-RELATED PROTEIN
RAL-A
(Homo
sapiens)
4 / 8GLY A  21
VAL A  92
PHE A  83
ILE A  18
None
0.79A21.49
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)
4 / 8GLY A 524
PHE A 701
ILE A 346
PHE A 702
None
0.93A16.06
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2
(Homo
sapiens)
4 / 8GLY A 405
VAL A 404
HIS A 401
ILE A 379
None
0.89A16.58
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3nxp PRETHROMBIN-1
(Homo
sapiens)
4 / 8ASN A 221
GLY A 224
PHE A 280
PHE A 281
None
0.84A20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
8 / 8ASN A  66
GLY A  68
VAL A  69
HIS A  72
GLN A 122
PHE A 126
ILE A 128
PHE A 178
None
TE7  A   1 ( 4.1A)
None
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
0.53A98.28
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4cak INTEGRIN BETA-3
(Homo
sapiens)
4 / 8GLY B 221
PHE B 248
ILE B 226
PHE B 308
None
0.82A15.37
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2
(Homo
sapiens;
Homo
sapiens)
4 / 8GLY A 412
PHE B 247
ILE A 435
PHE B 245
None
0.82A11.45
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4um8 INTEGRIN BETA-6
(Homo
sapiens)
4 / 8GLY B 224
PHE B 251
ILE B 229
PHE B 311
None
0.63A15.02
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5e6s INTEGRIN ALPHA-L
INTEGRIN BETA-2
(Homo
sapiens;
Homo
sapiens)
4 / 8GLY A 406
PHE B 247
ILE A 431
PHE B 245
None
0.90A15.70
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5ei3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E
(Homo
sapiens)
4 / 8ASN A 213
GLY A 196
VAL A 216
ILE A 193
None
0.88A18.05
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X
(Homo
sapiens)
4 / 8GLY A1558
VAL A1557
GLN A1573
ILE A1572
None
0.87Aundetectable
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4
(Homo
sapiens)
4 / 8GLY A 263
VAL A 264
ILE A 270
PHE A 281
None
0.92Aundetectable
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
6d6q EXOSOME COMPLEX
COMPONENT RRP40
(Homo
sapiens)
4 / 8ASN G 234
GLY G 232
VAL G 117
ILE G 193
None
0.89Aundetectable
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)
4 / 8GLY M 263
VAL M 264
ILE M 270
PHE M 281
None
0.70Aundetectable
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1orf GRANZYME A
(Homo
sapiens)
4 / 7GLY A  44
VAL A  31
PHE A 209
ILE A  47
None
0.79A21.01
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens)
4 / 7ASN A 463
GLY A 459
ILE A 536
PHE A 542
None
0.84A17.79
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1tye INTEGRIN BETA-3
(Homo
sapiens)
4 / 7GLY B 221
PHE B 248
ILE B 226
PHE B 308
None
0.74A19.47
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1zc4 RAS-RELATED PROTEIN
RAL-A
(Homo
sapiens)
4 / 7GLY A  21
VAL A  92
PHE A  83
ILE A  18
None
0.80A21.49
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)
5 / 7GLY A 819
VAL A 818
GLN A 817
ILE A 813
PHE A 787
None
None
WAN  A 901 (-3.1A)
WAN  A 901 ( 4.3A)
None
1.46A13.39
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214
(Homo
sapiens)
4 / 7GLY A 210
VAL A 209
ILE A 229
PHE A 287
None
0.87A21.84
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)
4 / 7GLY A 524
PHE A 701
ILE A 346
PHE A 702
None
0.89A16.06
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3nxp PRETHROMBIN-1
(Homo
sapiens)
4 / 7ASN A 221
GLY A 224
PHE A 280
PHE A 281
None
0.85A20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
7 / 7ASN A  66
GLY A  68
VAL A  69
GLN A 122
PHE A 126
ILE A 128
PHE A 178
None
TE7  A   1 ( 4.1A)
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
0.63A98.28
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3v4v INTEGRIN BETA-7
(Homo
sapiens)
4 / 7GLY B 241
PHE B 267
ILE B 246
PHE B 327
None
0.70A18.99
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4cak INTEGRIN BETA-3
(Homo
sapiens)
4 / 7GLY B 221
PHE B 248
ILE B 226
PHE B 308
None
0.76A15.37
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2
(Homo
sapiens;
Homo
sapiens)
4 / 7GLY A 412
PHE B 247
ILE A 435
PHE B 245
None
0.77A11.45
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1ryo SEROTRANSFERRIN
(Homo
sapiens)
4 / 6GLY A 258
ASN A  55
GLU A 260
ILE A 263
None
0.87A20.68
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1w8d 2,4-DIENOYL-COA
REDUCTASE,
MITOCHONDRIAL
PRECURSOR
(Homo
sapiens)
4 / 6GLY A  68
GLY A  67
ASN A 144
ILE A 103
None
None
NAP  A1330 (-3.2A)
None
0.74A25.00
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2dmm PROTEIN
DISULFIDE-ISOMERASE
A3
(Homo
sapiens)
4 / 6GLY A 120
GLY A 121
GLU A 119
ILE A 104
None
0.93A20.26
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2eko HISTONE
ACETYLTRANSFERASE
HTATIP
(Homo
sapiens)
4 / 6GLY A   8
GLY A   7
GLU A   9
ILE A  10
None
0.98A18.57
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2fe5 PRESYNAPTIC PROTEIN
SAP102
(Homo
sapiens)
4 / 6GLY A 263
GLY A 264
GLU A 262
ILE A 260
None
0.96A14.16
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT
(Homo
sapiens)
4 / 6GLY A 233
GLY A 234
ASN A 350
ILE A 266
None
0.87A18.63
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2nmp CYSTATHIONINE
GAMMA-LYASE
(Homo
sapiens)
4 / 6GLY A 202
ASN A 228
GLU A 170
ILE A 169
None
0.96A20.65
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3h1v GLUCOKINASE
(Homo
sapiens)
4 / 6GLY X 229
GLY X 227
GLU X 290
ILE X 293
GLC  X 500 ( 3.8A)
None
GLC  X 500 (-3.1A)
None
0.86A19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
6 / 6GLY A 149
GLY A 150
MET A 154
ASN A 161
GLU A 193
ILE A 194
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
FAD  A 232 ( 3.1A)
None
0.20A98.28
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4d8o ANKYRIN-2
(Homo
sapiens)
4 / 6GLY A1135
GLY A1136
ASN A1129
GLU A1152
None
0.97A17.09
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4f9o HEXOKINASE-1
(Homo
sapiens)
4 / 6GLY A 681
GLY A 679
GLU A 742
ILE A 745
BGC  A1003 ( 3.8A)
0NZ  A1004 (-3.2A)
BGC  A1003 (-2.7A)
None
0.93A12.81
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4p0j INTERLEUKIN-36
RECEPTOR
ANTAGONIST/INTERLEUK
IN-36 GAMMA CHIMERA
PROTEIN
(Homo
sapiens)
4 / 6GLY A  63
GLY A  64
ASN A  84
GLU A  41
None
0.63A21.66
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)
4 / 6GLY A 398
GLY A 399
GLU A 185
ILE A 184
None
0.93A20.35
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)
4 / 6GLY A  79
GLY A  78
ASN A  98
GLU A  82
None
0.98A9.80
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D
(Homo
sapiens)
4 / 6GLY 0  67
GLY 0  68
ASN 0 181
GLU 0  46
None
0.92A17.72
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5wvo DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)
4 / 6GLY C 451
GLY C 452
ASN C 383
GLU C 450
None
0.90A22.34
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22
(Homo
sapiens)
4 / 6GLY A 430
GLY A 431
ASN A 526
ILE A 378
None
None
CA  A 803 (-3.2A)
None
0.99Aundetectable
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.
4FGL_D_CLQD304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1f59 IMPORTIN BETA-1
(Homo
sapiens)
4 / 4LYS A 191
ASN A 188
VAL A 233
ASP A 230
None
1.36A18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGL_D_CLQD304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
4 / 4LYS A  22
ASN A  23
VAL A  26
ASP A  27
None
0.09A98.28
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
1cks CYCLIN-DEPENDENT
KINASE SUBUNIT, TYPE
2
(Homo
sapiens)
3 / 3MET A  38
GLU A  42
LEU A  46
None
0.72A20.25
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens)
3 / 3MET A 323
GLU A 327
LEU A 331
None
0.48A15.85
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
1fxl PARANEOPLASTIC
ENCEPHALOMYELITIS
ANTIGEN HUD
(Homo
sapiens)
3 / 3MET A  50
GLU A  54
LEU A  58
None
0.81A16.88
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
1fxl PARANEOPLASTIC
ENCEPHALOMYELITIS
ANTIGEN HUD
(Homo
sapiens)
3 / 3MET A 136
GLU A 140
LEU A 144
None
0.79A16.88
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
1xap RETINOIC ACID
RECEPTOR BETA
(Homo
sapiens)
3 / 3MET A 314
GLU A 318
LEU A 322
None
0.34A15.36
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
2ast CYCLIN-DEPENDENT
KINASES REGULATORY
SUBUNIT 1
(Homo
sapiens)
3 / 3MET C3038
GLU C3042
LEU C3046
None
0.76A19.32
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
2w5h SERINE/THREONINE-PRO
TEIN KINASE NEK2
(Homo
sapiens)
3 / 3MET A  44
GLU A  48
LEU A  52
None
0.68A16.87
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
3a6p EXPORTIN-5
(Homo
sapiens)
3 / 3MET A  82
GLU A  86
LEU A  90
None
0.39A5.80
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36
(Homo
sapiens)
3 / 3MET B 264
GLU B 268
LEU B 272
None
0.51A17.56
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
3f7p PLECTIN-1
(Homo
sapiens)
3 / 3MET A 185
GLU A 189
LEU A 193
None
0.44A13.06
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
3hi9 ELAV-LIKE PROTEIN 1
(Homo
sapiens)
3 / 3MET A  31
GLU A  35
LEU A  39
None
0.61A22.22
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)
3 / 3MET A2387
GLU A2388
LEU A2392
None
0.80A5.37
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4ed5 ELAV-LIKE PROTEIN 1
(Homo
sapiens)
3 / 3MET A  31
GLU A  35
LEU A  39
None
0.58A16.96
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4fxv ELAV-LIKE PROTEIN 1
(Homo
sapiens)
3 / 3MET A  31
GLU A  35
LEU A  39
None
0.64A22.22
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D
(Homo
sapiens)
3 / 3MET A  96
GLU A 100
LEU A 104
None
0.77A14.14
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B
(Homo
sapiens)
3 / 3MET A  93
GLU A  97
LEU A 101
None
0.75A12.81
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4q58 PLECTIN
(Homo
sapiens)
3 / 3MET A 158
GLU A 162
LEU A 166
None
0.58A14.73
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C
(Homo
sapiens)
3 / 3MET A  94
GLU A  98
LEU A 102
None
0.63A18.00
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
4z6g MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5
(Homo
sapiens)
3 / 3MET A 161
GLU A 165
LEU A 169
None
0.50A20.21
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
5k13 RETINOIC ACID
RECEPTOR ALPHA
(Homo
sapiens)
3 / 3MET A 321
GLU A 325
LEU A 329
None
0.79A15.25
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
5mra SORCIN
(Homo
sapiens)
3 / 3MET A  90
GLU A  94
LEU A  98
None
MG  A 202 (-3.9A)
None
0.78A21.48
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
5uan RETINOIC ACID
RECEPTOR BETA
(Homo
sapiens)
3 / 3MET B 314
GLU B 318
LEU B 322
None
0.46A12.57
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)
6fx0 RETINOIC ACID
RECEPTOR GAMMA
(Homo
sapiens)
3 / 3MET A 323
GLU A 327
LEU A 331
None
0.47Aundetectable
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.
4V2O_C_CLQC1079_0
(SAPOSIN-B)
2k42 WISKOTT-ALDRICH
SYNDROME PROTEIN
ESPFU
(Homo
sapiens;
Escherichia
coli)
4 / 5ARG A  35
MET B  84
GLU A  68
LEU A  32
None
1.34A20.25