Ligand ID: BUW


Drugbank ID:
DB00392
(Ethopropazine)


Indication:
For use in the treatment of Parkinson's disease and also used to control severe reactions to certain medicines such as reserpine.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BUW' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 109
GLN A 110
PHE A 134
TYR A 182
1.78A20.79
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 109
GLN A 110
THR A 111
TYR A 182
1.79A20.79
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLY A 712
GLN A 724
THR A 710
TYR A 770
1.72A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLY A 559
GLN A 541
THR A 540
TYR A 456
1.54A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLN A 524
THR A 567
SER A 561
TYR A 530
1.78A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 8
GLY A 559
GLN A 541
THR A 540
SER A 682
TYR A 453
1.76A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A 219
GLN A 218
SER A 221
TYR A 266
1.22A17.62
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A 219
GLN A 218
SER A 221
TYR A 266
1.09A17.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY C 381
SER C 383
TRP L  50
TYR L  96
1.64A16.00
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY H  53
THR C 376
SER H  55
TYR C 380
1.70A13.98
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY D 295
GLN D 294
SER C 312
TRP D 301
1.03A13.45
None
None
None
CL  D 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY C 295
GLN C 294
TRP C 301
TYR C 268
1.79A13.45
None
None
CL  C 401 ( 4.6A)
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY F 295
GLN F 294
SER E 312
TRP F 301
1.34A13.45
None
None
None
CL  F 401 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY B 295
GLN B 294
SER A 312
TRP B 301
1.07A13.45
None
None
None
CL  B 401 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY A 295
GLN A 294
SER B 312
TRP A 301
1.03A13.45
None
None
None
CL  A 401 ( 4.5A)
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY C 295
GLN C 294
SER D 312
TRP C 301
1.01A13.45
None
None
None
CL  C 401 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY E 295
GLN E 294
SER F 312
TRP E 301
1.05A13.45
None
None
None
CL  E 401 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TRP B  52
GLN B 160
SER B  78
PHE B 110
1.80A12.26
MES  B 201 (-3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
THR C 135
SER C  78
PHE C  53
TYR C  87
1.75A12.26
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
THR D 135
SER D  78
PHE D  53
TYR D  87
1.78A12.26
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A 107
THR A  75
PHE A  13
TYR A  47
1.52A12.79
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
THR A  75
SER A  38
PHE A  13
TYR A  47
1.75A12.79
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY H  54
THR E 376
SER H  56
TYR E 380
1.70A17.62
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY B  54
THR A 376
SER B  56
TYR A 380
1.73A17.62
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY H  54
THR E 376
SER H  56
TYR E 380
1.69A17.20
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY E 381
SER L  33
PHE E 392
TYR E 365
1.80A18.65
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY H  54
THR E 376
SER H  56
TYR E 380
1.70A17.62
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY B  54
THR A 376
SER B  56
TYR A 380
1.71A17.62
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY A 381
SER C  33
PHE A 392
TYR A 365
1.80A18.65
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLY A 559
GLN A 541
THR A 540
TYR A 456
1.71A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLY A 712
GLN A 724
THR A 710
TYR A 770
1.79A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLN A 524
THR A 567
SER A 561
TYR A 530
1.78A19.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLY A 559
GLN A 541
THR A 540
TYR A 456
1.65A19.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLY A 559
THR A 540
SER A 682
TYR A 453
1.64A19.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLY A 559
GLN A 541
THR A 540
TYR A 453
1.64A19.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 8
GLY A 559
GLN A 541
THR A 540
SER A 682
TYR A 453
1.64A19.75
 U  T  10 ( 3.5A)
U  T   8 ( 3.4A)
None
U  T  10 (-2.9A)
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
GLY A 559
GLN A 541
THR A 540
TYR A 456
1.57A19.75
 U  T  10 ( 3.5A)
U  T   8 ( 3.4A)
None
None