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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		1nfi I-KAPPA-B-ALPHA
(Homo
sapiens)		4 / 8PRO E 137
LEU E 163
GLY E 161
LEU E 131
None
0.79A20.28
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))
(Homo
sapiens)		4 / 8PRO P  83
LEU P 140
GLY P 141
LEU P 215
None
0.93A21.73
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		2rkb SERINE
DEHYDRATASE-LIKE
(Homo
sapiens)		4 / 8PRO A 166
LEU A 186
GLY A 185
LEU A 169
None
0.94A21.38
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		2v0f CHROMODOMAIN-HELICAS
E-DNA-BINDING
PROTEIN 7
(Homo
sapiens)		4 / 8TRP A2685
LEU A2704
GLY A2706
PRO A2633
None
0.92A11.18
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens)		4 / 8PRO A 189
LEU A 185
GLY A 184
LYS A 182
None
0.91A21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		4 / 8PRO A1360
MET A1361
LEU A1368
LEU A1418
None
0.80A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 8TRP A1357
PRO A1360
LEU A1368
LEU A1418
PRO A1461
None
0.57A100.00
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		3v30 DNA-BINDING PROTEIN
RFXANK
(Homo
sapiens)		4 / 8PRO A 150
LEU A 176
GLY A 174
LEU A 144
None
0.94A18.35
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		4d1e ALPHA-ACTININ-2
(Homo
sapiens)		4 / 8LEU A 186
GLY A 183
LEU A 229
PRO A 240
None
MLZ  A 181 ( 4.3A)
None
MLZ  A 239 ( 2.6A)
0.95A20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		4kxz GC1008 HEAVY CHAIN
(Homo
sapiens)		4 / 8PRO H 133
LEU H 196
GLY H 197
LEU H 145
None
0.92A17.01
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		4lx1 UNCONVENTIONAL
MYOSIN-VA
(Homo
sapiens)		4 / 8PRO A1507
LEU A1845
GLY A1846
LEU A1493
None
0.89A22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		4ric FANCONI-ASSOCIATED
NUCLEASE 1
(Homo
sapiens)		4 / 8LEU A 916
GLY A 843
LEU A 870
PRO A 585
None
0.89A21.43
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		4xny HEAVY CHAIN OF
ANTIBODY VRC08C
(Homo
sapiens)		4 / 8PRO H 126
LEU H 189
GLY H 190
LEU H 138
None
0.96A16.89
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		5u8q INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR
(Homo
sapiens)		4 / 8PRO A 639
LEU A 880
GLY A 830
LEU A 627
None
0.95A9.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 12ALA A 237
PHE A 307
GLY A 210
SER A 203
LEU A 227
None
1.02A36.25
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		2rkb SERINE
DEHYDRATASE-LIKE
(Homo
sapiens)		5 / 12ALA A 172
GLY A 176
GLY A 175
LEU A 229
LEU A 219
PLP  A 400 ( 4.8A)
PLP  A 400 (-2.9A)
PLP  A 400 (-3.4A)
K  A 401 (-4.6A)
None
1.00A21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		6 / 12ALA A1093
GLY A1142
SER A1221
LEU A1363
MET A1364
HIS A1468
None
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
None
1.04A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		9 / 12ALA A1093
PHE A1101
GLY A1142
GLY A1143
SER A1221
LEU A1363
MET A1364
LEU A1388
HIS A1468
None
None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
None
None
0.38A100.00
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE
(Homo
sapiens)		5 / 12ALA A 185
GLY A 203
GLY A 202
LEU A 156
LEU A 157
None
0.90A22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		4duu PLASMINOGEN
(Homo
sapiens)		5 / 12ALA A 648
GLY A 742
GLY A 589
LEU A 599
LEU A 618
None
1.00A20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		5xtc NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
(Homo
sapiens)		5 / 12ALA Q  44
GLY Q  49
LEU i 228
SER i 231
LEU i 175
None
1.01A6.50
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		1nfi I-KAPPA-B-ALPHA
(Homo
sapiens)		4 / 7PRO E 137
LEU E 163
GLY E 161
LEU E 131
None
0.79A20.28
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		1wxv BAG-FAMILY MOLECULAR
CHAPERONE
REGULATOR-1
(Homo
sapiens)		4 / 7PRO A  32
LEU A  68
GLY A  72
LEU A   8
None
0.83A11.91
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		1z6u NP95-LIKE RING
FINGER PROTEIN
ISOFORM B
(Homo
sapiens)		4 / 7PRO A 769
LEU A 775
GLY A 776
LEU A 757
None
0.86A14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		2ep6 MCTP2 PROTEIN
(Homo
sapiens)		4 / 7PRO A 120
LEU A 175
GLY A 176
LEU A 109
None
0.88A13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		3fl2 E3 UBIQUITIN-PROTEIN
LIGASE UHRF1
(Homo
sapiens)		4 / 7PRO A 760
LEU A 766
GLY A 767
LEU A 748
None
0.87A12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 7TRP A1357
PRO A1360
LEU A1368
LEU A1418
PRO A1461
None
0.53A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 7TRP A1357
PRO A1360
LYS A1414
LEU A1418
PRO A1461
None
1.37A100.00
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D
(Homo
sapiens)		4 / 7PRO A 424
LEU A 428
GLY A 431
LEU A 414
None
0.80A20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		3u78 LYSINE-SPECIFIC
DEMETHYLASE 7
(Homo
sapiens)		4 / 7PRO A 424
LEU A 428
GLY A 431
LEU A 414
None
0.82A20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT
(Homo
sapiens)		4 / 7LEU A  90
GLY A  91
LEU A  88
PRO A 160
None
0.91A21.25
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		4d1e ALPHA-ACTININ-2
(Homo
sapiens)		4 / 7LEU A 186
GLY A 183
LEU A 229
PRO A 240
None
MLZ  A 181 ( 4.3A)
None
MLZ  A 239 ( 2.6A)
0.90A20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		5e8y TGF-BETA RECEPTOR
TYPE-2
(Homo
sapiens)		4 / 7LEU A 361
GLY A 357
LEU A 299
PRO A 367
None
0.92A23.06
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL
(Homo
sapiens)		4 / 7LEU A 343
GLY A 339
LEU A 378
PRO A  91
None
0.92A22.65
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		1aos ARGININOSUCCINATE
LYASE
(Homo
sapiens)		5 / 12GLY A 200
VAL A 211
SER A  42
LEU A 216
LEU A  49
None
1.12A23.18
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		1ea6 PMS1 PROTEIN HOMOLOG
2
(Homo
sapiens)		5 / 12GLY A  62
VAL A 159
LEU A  35
SER A  34
LEU A 114
None
1.28A21.22
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		1sg4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12GLY A 112
GLY A 111
LEU A  28
SER A  29
LEU A  66
None
1.14A20.00
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		1uwy CARBOXYPEPTIDASE M
(Homo
sapiens)		5 / 12GLY A  32
VAL A 157
SER A 107
LEU A  28
HIS A  29
None
1.32A23.77
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		1ygu LEUKOCYTE COMMON
ANTIGEN
(Homo
sapiens)		5 / 12VAL A1175
LEU A1157
LEU A1160
LEU A1140
LEU A1179
None
1.36A22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		9 / 12PHE A1101
GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1358
MET A1364
LEU A1388
HIS A1468
None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
None
None
None
0.45A100.00
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		3swl CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 1
(Homo
sapiens)		5 / 12VAL A 206
LEU A 181
LEU A 210
LEU A 108
LEU A 144
None
1.34A19.73
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1
(Homo
sapiens)		5 / 12GLY A 226
GLY A 227
LEU A 223
MET A 270
LEU A 231
None
1.22A22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		4mhl INTERLEUKIN-11
(Homo
sapiens)		5 / 12GLY A 169
GLY A 170
LEU A 119
LEU A 178
HIS A  70
None
None
None
None
ARF  A 203 (-3.6A)
1.30A18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)		5 / 12VAL A 658
LEU A 722
LEU A 718
LEU A 603
LEU A 653
None
0.89A20.63
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		4q80 SERINE PROTEASE 57
(Homo
sapiens)		5 / 12PHE A  59
GLY A 196
VAL A 231
LEU A 106
LEU A 123
None
1.24A18.34
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		5dj4 SESTRIN-2
(Homo
sapiens)		5 / 12GLY A 360
GLY A 359
LEU A  96
LEU A  99
LEU A 200
None
1.26A20.58
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO
(Homo
sapiens)		5 / 12GLY A 498
VAL A 421
LEU A 439
LEU A 435
LEU A 418
None
1.03A20.25
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG
(Homo
sapiens)		5 / 12GLY A 876
VAL A 792
LEU A 979
LEU A 976
LEU A 803
None
1.31A11.20
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE
(Homo
sapiens)		5 / 12VAL A 370
LEU A 363
LEU A 366
LEU A 389
LEU A 371
None
1.29Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B
(Homo
sapiens)		4 / 4LEU A 121
PRO A  89
ILE A  83
LEU A  84
None
1.03A20.58
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		1w6j LANOSTEROL SYNTHASE
(Homo
sapiens)		4 / 4LEU A 131
PRO A 168
ILE A 163
LEU A 164
None
1.09A22.05
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		4 / 4LEU A 261
PRO A 206
ILE A 341
LEU A 202
None
1.04A21.32
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		2d86 VAV-3 PROTEIN
(Homo
sapiens)		4 / 4LEU A  18
PRO A 137
ILE A 116
LEU A 119
None
1.05A14.85
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		2frg TREM-LIKE
TRANSCRIPT-1
(Homo
sapiens)		4 / 4LEU P  87
PRO P  23
ILE P 114
LEU P 115
None
1.11A11.28
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens)		4 / 4LEU A 277
PRO A 205
ILE A 164
LEU A 224
None
1.10A22.01
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		2ldy ORF1 CODES FOR A 40
KDA PRODUCT
(Homo
sapiens)		4 / 4LEU A 158
PRO A 164
ILE A 181
LEU A 178
None
1.05A15.60
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		2wa5 FILAMIN-B
(Homo
sapiens)		4 / 4LEU A  53
PRO A 126
ILE A 118
LEU A 117
None
0.87A19.96
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		3fzp PROTEIN TYROSINE
KINASE 2 BETA
(Homo
sapiens)		4 / 4LEU A 654
PRO A 625
ILE A 618
LEU A 619
None
0.99A20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		3hoc FILAMIN-A
(Homo
sapiens)		4 / 4LEU A  80
PRO A 153
ILE A 145
LEU A 144
None
0.85A21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		3qum PROSTATE-SPECIFIC
ANTIGEN
(Homo
sapiens)		4 / 4LEU P  53
PRO P 111
ILE P 242
LEU P 105
None
1.11A16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		4b7l FILAMIN-B
(Homo
sapiens)		4 / 4LEU A  53
PRO A 126
ILE A 118
LEU A 117
None
0.91A21.58
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		4c0a IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 4LEU A 663
PRO A 641
ILE A 703
LEU A 705
None
1.11A21.16
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)		4 / 4LEU A 722
PRO A 753
ILE A 740
LEU A 757
None
1.14A22.50
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		4pju COHESIN SUBUNIT SA-2
DOUBLE-STRAND-BREAK
REPAIR PROTEIN RAD21
HOMOLOG
(Homo
sapiens)		4 / 4LEU A 825
PRO B 376
ILE A 794
LEU A 795
None
0.95A19.06
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		4ric FANCONI-ASSOCIATED
NUCLEASE 1
(Homo
sapiens)		4 / 4LEU A 571
PRO A 541
ILE A 548
LEU A 549
None
1.08A21.43
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		4zgz ANTIZYME INHIBITOR 1
(Homo
sapiens)		4 / 4LEU A 212
PRO A 272
ILE A 268
LEU A 232
None
0.88A20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		5d6b FUMARATE HYDRATASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 4LEU A 272
PRO A  91
ILE A  98
LEU A  99
None
1.01A24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		5fq2 SUMO-ACTIVATING
ENZYME SUBUNIT 2
(Homo
sapiens)		4 / 4LEU B 506
PRO B 478
ILE B 530
LEU B 517
MLZ  B 505 ( 4.2A)
None
None
None
1.12A11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		5jtv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens)		4 / 4LEU A 232
PRO A 399
ILE A 320
LEU A 238
None
1.12A23.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN
(Homo
sapiens)		4 / 4LEU A 508
PRO A 482
ILE A 550
LEU A 486
None
1.02A8.45
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		1z7z INTERCELLULAR
ADHESION MOLECULE-1
(Homo
sapiens)		4 / 5PRO I  28
LEU I  31
GLY I  32
LYS I  50
None
1.33A23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		2o4x STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 5PRO B 748
LEU B 752
GLY B 753
LYS B 703
None
1.46A11.50
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1
(Homo
sapiens)		4 / 5TRP A 319
LEU A 329
GLY A 328
LYS A  87
None
1.25A17.50
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME
(Escherichia
virus
T4;
Homo
sapiens)		4 / 5TRP A 286
PRO A 288
LEU A 284
GLY A 280
None
1.35A21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)		4 / 5TRP A 258
PRO A 260
LEU A 256
GLY A 252
None
1.39A21.06
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA
(Escherichia
coli;
Homo
sapiens)		4 / 5TRP A 407
PRO A 409
LEU A 405
GLY A 401
None
PEG  A1215 ( 4.6A)
OLA  A1211 ( 4.6A)
OLA  A1211 (-3.6A)
1.46A22.20
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens)		4 / 5TRP A 246
PRO A 248
LEU A 244
GLY A 240
None
CLR  A1202 (-4.1A)
None
None
1.47A11.18
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		1aos ARGININOSUCCINATE
LYASE
(Homo
sapiens)		5 / 12GLY A 200
VAL A 211
SER A  42
LEU A 216
LEU A  49
None
1.03A23.18
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		2dhg TRNA SELENOCYSTEINE
ASSOCIATED PROTEIN
(SECP43)
(Homo
sapiens)		5 / 12GLY A 125
GLY A 126
VAL A 100
LEU A 112
LEU A 170
None
1.06A13.32
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		2okk GLUTAMATE
DECARBOXYLASE 2
(Homo
sapiens)		5 / 12GLY A 370
GLY A 369
VAL A 390
LEU A 381
SER A 382
None
0.89A23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		3cjw COUP TRANSCRIPTION
FACTOR 2
(Homo
sapiens)		5 / 12VAL A 307
LEU A 367
LEU A 363
LEU A 252
LEU A 302
None
0.94A18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN
(Homo
sapiens)		5 / 12GLY H 193
SER H 195
LEU H  40
LEU H  64
HIS H  57
0G6  H   1 (-4.1A)
0G6  H   1 (-1.8A)
None
None
0G6  H   1 (-3.2A)
0.94A17.96
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		3gd7 FUSION COMPLEX OF
CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR, RESIDUES
1193-1427 AND
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK,
RESIDUES 219-371
(Escherichia
coli;
Homo
sapiens)		5 / 12VAL A1475
LEU A1451
SER A1491
LEU A1467
LEU A1477
None
0.99A22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		9 / 12PHE A1101
GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1358
MET A1364
LEU A1388
HIS A1468
None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
None
None
None
0.46A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		6 / 12PHE A1101
SER A1221
SER A1365
MET A1364
LEU A1388
HIS A1468
None
WW2  A 193 (-1.4A)
None
None
None
None
1.43A100.00
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		4mfv BETA-CATENIN-LIKE
PROTEIN 1
(Homo
sapiens)		5 / 12PHE A 383
GLY A 378
LEU A 357
LEU A 336
LEU A 411
None
0.99A21.81
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)		5 / 12VAL A 658
LEU A 722
LEU A 718
LEU A 603
LEU A 653
None
0.87A20.63
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO
(Homo
sapiens)		5 / 12GLY A 498
VAL A 421
LEU A 439
LEU A 435
LEU A 418
None
0.99A20.25
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B
(Homo
sapiens)		4 / 4LEU A 121
PRO A  89
ILE A  83
LEU A  84
None
1.01A20.58
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		1w6j LANOSTEROL SYNTHASE
(Homo
sapiens)		4 / 4LEU A 131
PRO A 168
ILE A 163
LEU A 164
None
1.08A22.05
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		4 / 4LEU A 261
PRO A 206
ILE A 341
LEU A 202
None
1.10A21.32
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		2d86 VAV-3 PROTEIN
(Homo
sapiens)		4 / 4LEU A  18
PRO A 137
ILE A 116
LEU A 119
None
1.04A14.85
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE
(Homo
sapiens)		4 / 4LEU A 254
PRO A 127
ILE A 241
LEU A 268
None
1.11A21.88
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		2wa5 FILAMIN-B
(Homo
sapiens)		4 / 4LEU A  53
PRO A 126
ILE A 118
LEU A 117
None
0.94A19.96
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens)		4 / 4LEU A 201
PRO A 242
ILE A 270
LEU A 264
None
None
EDO  A1293 (-4.7A)
None
1.07A21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		3hoc FILAMIN-A
(Homo
sapiens)		4 / 4LEU A  80
PRO A 153
ILE A 145
LEU A 144
None
0.91A21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		4acq ALPHA-2-MACROGLOBULI
N
(Homo
sapiens)		4 / 4LEU A1046
PRO A1119
ILE A1068
LEU A1070
None
1.01A17.60
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		4b7l FILAMIN-B
(Homo
sapiens)		4 / 4LEU A  53
PRO A 126
ILE A 118
LEU A 117
None
0.96A21.58
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		4mvt E3 SUMO-PROTEIN
LIGASE PIAS3
(Homo
sapiens)		4 / 4LEU A 334
PRO A 297
ILE A 387
LEU A 388
None
1.16A21.57
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		4pju COHESIN SUBUNIT SA-2
DOUBLE-STRAND-BREAK
REPAIR PROTEIN RAD21
HOMOLOG
(Homo
sapiens)		4 / 4LEU A 825
PRO B 376
ILE A 794
LEU A 795
None
0.96A19.06
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		4y85 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 8
(Homo
sapiens)		4 / 4LEU A 193
PRO A 116
ILE A 108
LEU A 110
None
1.15A22.43
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		4zgz ANTIZYME INHIBITOR 1
(Homo
sapiens)		4 / 4LEU A 212
PRO A 272
ILE A 268
LEU A 232
None
1.00A20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		5f9s SERINE--PYRUVATE
AMINOTRANSFERASE
(Homo
sapiens)		4 / 4LEU A 219
PRO A  34
ILE A 279
LEU A 276
None
1.14A22.37
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		5h65 PROTECTION OF
TELOMERES PROTEIN 1
(Homo
sapiens)		4 / 4LEU A 483
PRO A 491
ILE A 455
LEU A 454
None
1.11A20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN
(Homo
sapiens)		4 / 4LEU A 508
PRO A 482
ILE A 550
LEU A 486
None
1.01A8.45
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		6en4 SPLICING FACTOR 3B
SUBUNIT 3
(Homo
sapiens)		4 / 4LEU A 401
PRO A  45
ILE A  30
LEU A  41
None
1.10A10.44