Ligand ID: EDR


Drugbank ID:
DB01010
(Edrophonium)


Indication:
For the differential diagnosis of myasthenia gravis and as an adjunct in the evaluation of treatment requirements in this disease. It may also be used for evaluating emergency treatment in myasthenic crises.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'EDR' 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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.31A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.19A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE B1150
1.28A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B1150
1.16A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.26A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.15A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 7
GLY E 446
TYR E 408
PHE E 460
HIS E 445
1.45A14.12
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.09A20.15
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.21A20.15
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY C  82
TYR C  36
SER C  79
PHE A  70
1.35A20.99
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 446
TYR E 408
PHE E 460
HIS E 445
1.44A15.52
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.21A19.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.32A19.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.31A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.19A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.30A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.19A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.20A19.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.31A19.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2z9l 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR B 118
GLU B 166
SER A   1
HIS B 172
1.22A20.07
None
DMS  B 603 ( 4.2A)
DMS  B 603 ( 4.3A)
DMS  B 603 ( 4.8A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.12A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.24A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
GLY A 446
TYR A 408
PHE A 460
HIS A 445
1.43A15.50
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 446
TYR E 408
PHE E 460
HIS E 445
1.46A15.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.48A19.78
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.12A19.89
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.25A19.89
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.21A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.32A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.21A19.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.32A19.78
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.11A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.20A20.07
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.32A20.07
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.16A19.89
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.26A19.89
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 446
TYR E 408
PHE E 460
HIS E 445
1.47A18.11
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.21A20.18
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.32A20.18
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.18A20.70
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.29A20.70
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
TYR C 723
SER C 949
PHE A 741
PHE C 952
1.39A17.12
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 446
TYR A 408
PHE A 460
HIS A 445
1.43A17.38
GLY  A 446 ( 0.0A)
TYR  A 408 ( 1.3A)
PHE  A 460 ( 1.3A)
HIS  A 445 ( 1.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY B 446
TYR B 408
PHE B 460
HIS B 445
1.35A17.38
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY B 446
TYR B 408
PHE B 460
HIS B 445
1.32A17.38
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
GLY A 591
SER A 594
PHE A 549
PHE A 550
1.31A21.22
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 446
TYR A 408
PHE A 460
HIS A 445
1.39A17.40
None