Ligand ID: AMR


Drugbank ID:
DB00594
(Amiloride)


Indication:
For use as adjunctive treatment with thiazide diuretics or other kaliuretic-diuretic agents in congestive heart failure or hypertension.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AMR' 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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASP A  48
GLU A  47
ASN A  51
ARG A 188
1.37A22.25
17.21
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLU C 918
ASP E1181
GLU E1184
ASN E1176
1.64A7.69
11.02
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLN H   5
SER H  21
VAL H  20
GLY H   8
1.21A23.08
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLU A  55
ASP A  48
ASN A  51
ARG A 188
1.78A22.25
17.16
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
GLN A 244
SER A 287
GLY A 247
CYH A 292
1.22A20.11
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		2w2g NSP3
(SARSr-CoV)		4 / 8
ASP B 424
SER B 516
SER B 652
GLY B 491
1.30A18.84
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		3snd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 123
GLN B 306
SER A 121
GLY B 302
1.17A20.78
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
GLU A  24
ASP A  39
GLU B 168
ASN B 157
1.58A11.58
17.50
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		4 / 8
ASP A 165
SER A 116
GLY B  75
GLY A 164
1.27A22.02
None
None
AYE  B  76 ( 2.5A)
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
GLU C 132
ASP P  82
ASN C 160
ARG C 163
1.36A20.47
17.29
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
GLN M  98
VAL M 116
GLY M 127
GLY M 125
1.26A19.76
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP B 165
SER B 116
GLY A 156
GLY B 164
1.26A22.26
None
None
AYE  A 157 ( 2.1A)
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLN A 301
SER B 717
VAL B 718
GLY A 579
1.22A10.96
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		5x59 S PROTEIN
(MERS-CoV)		4 / 8
GLN B 988
SER B 991
GLY B 982
GLY B 984
1.15A11.45
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
GLU B 970
ASP C 976
GLU C 972
ASN B 951
1.77A17.03
6.36
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP B1023
SER B1019
GLY B1026
GLY B1028
1.19A11.40
ASP  B1023 ( 0.5A)
SER  B1019 ( 0.0A)
GLY  B1026 ( 0.0A)
GLY  B1028 ( 0.0A)
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP A 351
SER A 353
SER A 358
GLY A 326
1.17A11.40
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
SER C1012
VAL B1022
GLY B1026
GLY B1028
1.11A10.56
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
GLU C1074
ASP C1100
ASP B1100
ARG A1073
1.38A17.13
6.50
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP C 727
GLN C 835
GLY B 536
GLY B 534
1.04A10.86
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
SER C 288
GLN C 444
GLY C 438
GLY C 285
1.12A17.33
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLN L  90
VAL H  37
GLY H  49
GLY H  35
1.57A20.45
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ASP H 144
SER H 177
VAL H 169
GLY H 174
1.74A22.13
None
GOL  L 301 (-3.1A)
GOL  L 301 (-4.5A)
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ASP H 101
GLN H   3
GLY H  94
GLY H  95
1.31A22.13
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ASP H 107
GLN H   3
GLY H  98
GLY H  99
1.18A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN C  44
VAL H   5
GLY H  26
GLY H  24
1.42A
1PE  C 301 (-3.8A)
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER B 183
SER C 137
VAL C 139
GLY B 143
1.57A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN C  96
VAL B  37
GLY B  49
GLY B  35
1.54A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ASP B 107
GLN B   3
GLY B  98
GLY B  99
1.15A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER L  25
SER L  28
VAL L  29
GLY L  72
1.55A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ASP B 107
GLN H   3
GLY B  98
GLY B  99
1.57A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN L  44
VAL B   5
GLY B  26
GLY B  24
1.43A
1PE  L1603 (-3.8A)
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN L  96
VAL H  37
GLY H  49
GLY H  35
1.57A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN L  85
VAL L  64
GLY B  28
GLY B  26
1.31A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ASP H 107
GLN B   3
GLY H  98
GLY H  99
1.54A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER H 183
SER L 137
VAL L 139
GLY H 143
1.55A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ASP H 107
GLN H   3
GLY H  98
GLY H  99
1.21A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN L  96
VAL H  37
GLY H  49
GLY H  35
1.59A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER H 183
SER L 137
VAL L 139
GLY H 143
1.57A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER L  25
SER L  28
VAL L  29
GLY L  72
1.55A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
SER L  25
SER L  28
VAL L  29
GLY L  72
1.56A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ASP B 107
GLN B   3
GLY B  98
GLY B  99
1.18A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
SER H 183
SER L 137
VAL L 139
GLY H 143
1.56A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
GLN C  96
VAL B  37
GLY B  49
GLY B  35
1.58A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
GLN L  96
VAL H  37
GLY H  49
GLY H  35
1.57A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
SER C  25
SER C  28
VAL C  29
GLY C  72
1.56A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
SER B 183
SER C 137
VAL C 139
GLY B 143
1.56A
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ASP H 107
GLN H   3
GLY H  98
GLY H  99
1.17A
None