Ligand ID: OQR


Drugbank ID:
DB01096
(Oxamniquine)


Indication:
For treatment of Schistosomiasis caused by Schistosoma mansoni

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'OQR' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A  87
VAL A  77
ILE A  78
ASP A  34
SER A  81
1.78A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE B1286
GLY B1283
THR A 280
MET B1276
THR B1280
1.41A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 10
MET G  72
ILE H 124
VAL D  27
LEU D  25
SER D  66
1.73A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 10
LEU X  14
VAL U  21
ASP U  29
PHE U  16
SER X  11
1.80A17.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 9
PRO U  23
LEU X  14
ILE X  81
PHE Q  19
SER U  15
1.69A17.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
PRO A  65
VAL A 162
LEU A 167
SER A 171
GLU A 170
1.76A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ILE A 281
LEU A 272
VAL A 204
LEU A 205
PHE A 219
1.64A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
MET A 218
ILE A 222
VAL A 236
LEU A 250
GLU A 210
1.56A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
PRO D  65
VAL D 162
LEU D 167
SER D 171
GLU D 170
1.71A22.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ILE A 281
LEU A 205
LEU A 253
ASP A 216
PHE A 219
1.76A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		3aw0 3C-LIKE PROTEINASE
PEPTIDE
ACE-SER-ALA-VAL-LEU-
HIS-H
(SARSr-CoV)		5 / 9
PRO A  39
LEU A  27
LEU B   5
PHE A 140
SER A 144
1.75A20.26
None
None
HSV  B   6 ( 4.4A)
None
HSV  B   6 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE A 407
VAL A 574
GLY A 551
MET A 557
LEU A 558
0.76A16.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		3e9s NSP3
(SARSr-CoV)		5 / 12
PHE A 305
LEU A 102
GLY A 164
MET A 170
THR A 169
1.46A21.30
None
None
TTT  A 317 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ILE A  78
LEU A  75
VAL A  36
LEU A  32
SER A  94
1.79A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		3scj ACE2
(Homo
sapiens)		5 / 12
ILE A 407
VAL A 574
GLY A 551
MET A 557
LEU A 558
0.69A17.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE A 407
VAL A 574
GLY A 551
MET A 557
LEU A 558
0.66A17.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
PHE A 305
LEU A 102
GLY A 164
MET A 170
THR A 169
1.47A21.43
None
None
DMS  A 903 (-3.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE D 445
ILE D 474
PHE D 523
THR D 522
MET D 315
1.36A19.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE D 445
ILE D 474
PHE D 523
THR D 522
MET D 315
1.36A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
MET A 170
LEU A 121
LEU A 102
ILE A 277
PHE A 305
1.72A18.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
PRO A 412
LEU A 411
LEU A 406
ASP A 402
PHE A 401
1.79A18.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
PHE C 445
ILE C 474
PHE C 523
THR C 522
MET C 315
1.33A19.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
MET B 170
LEU B 121
LEU B 102
ILE B 277
PHE B 305
1.68A19.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE B 782
VAL B1047
GLY B 867
PHE B1034
MET B 884
1.49A12.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
HIS A 670
LEU A 697
GLY A 712
PHE A 674
LEU A 759
1.51A11.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE C 787
LEU C 859
VAL C1015
THR C 863
THR C 705
1.45A12.16
ILE  C 787 ( 0.7A)
LEU  C 859 ( 0.6A)
VAL  C1015 ( 0.6A)
THR  C 863 ( 0.8A)
THR  C 705 ( 0.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PRO A1035
ILE A 852
LEU A 859
LEU A 788
ASP A 850
1.65A12.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 584
VAL A 581
GLY A 653
THR A 302
THR A 631
1.37A12.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE A 782
VAL A1047
GLY A 867
PHE A1034
MET A 884
1.48A12.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_A_OQRA302_0
(SULFOTRANSFERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PRO B 513
LEU B 374
LEU B 322
ILE B 345
PHE B 329
1.52A11.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE B 787
LEU B 859
VAL B1015
THR B 863
THR B 705
1.31A12.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		6jyt HELICASE
(SARSr-CoV)		5 / 10
ILE A  35
LEU A  25
VAL A  42
LEU A  43
ASP A  59
1.69A17.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6lzg ACE2
(Homo
sapiens)		5 / 12
ILE A 407
VAL A 574
GLY A 551
MET A 557
LEU A 558
0.77A16.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6m17 ACE2
(Homo
sapiens)		5 / 12
ILE B 407
VAL B 574
GLY B 551
MET B 557
LEU B 558
0.70A15.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ILE A 497
LEU A 595
GLY A 438
THR A 596
MET A 124
1.34A16.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 782
VAL C1047
GLY C 867
PHE C1034
MET C 884
1.50A12.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		6vw1 ACE2
(Homo
sapiens)		5 / 10
LEU B 148
LEU B 162
ASP B 136
SER B 167
GLU B 166
1.73A17.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PHE B  29
ILE B  34
GLY B 110
THR B 104
MET B   2
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE B  34
VAL B 108
GLY B 101
PHE B  29
THR B 104
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  34
VAL H 108
GLY H 101
PHE H  29
THR H 104
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ILE H  34
GLY H 110
THR H 104
MET H   2
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  34
VAL H 108
GLY H 101
PHE H  29
THR H 104
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE H  34
VAL H 108
GLY H 101
PHE H  29
THR H 104
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ILE H  34
GLY H 110
THR H 104
MET H   2
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE B  34
VAL B 108
GLY B 101
PHE B  29
THR B 104
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
PHE B  29
ILE B  34
GLY B 110
THR B 104
MET B   2
1.80A
None