Ligand ID: 6UB


Drugbank ID:
DB00381
(Amlodipine)


Indication:
For the treatment of hypertension and chronic stable angina.

Get human targets for 6UB in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6UB' 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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE B1153
LEU B1147
GLY B1148
PHE B 952
1.30A22.63
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TYR B 161
ILE B 106
LEU B 115
PHE B 150
1.31A20.54
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 5
TYR A 193
ILE A 322
LEU A 299
GLY A 300
PHE A 302
1.76A21.31
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 5
TYR B 161
ILE B 106
LEU B 115
PHE B 150
1.37A20.62
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TYR C 161
ILE C 106
LEU C  30
PHE C 159
1.34A20.31
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TYR B 161
ILE B 106
LEU B  30
PHE B 159
1.34A20.42
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TYR B 161
ILE B 106
LEU B 115
PHE B 150
1.35A20.31
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE B 520
LEU B 532
GLY B 534
PHE B 527
1.24A13.50
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		5x4r S PROTEIN
(MERS-CoV)		4 / 5
ILE A 333
LEU A 321
GLY A  73
PHE A 323
1.30A20.67
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
TYR C 886
ILE C 878
LEU C1016
GLY C1017
1.16A13.57
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		5x5c S PROTEIN
(MERS-CoV)		4 / 5
TYR C  64
ILE C  67
LEU B 651
GLY B 640
1.27A12.82
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
TYR C 886
ILE C 878
LEU C1016
GLY C1017
1.22A13.50
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
TYR B 886
ILE B 878
LEU B1016
GLY B1017
1.36A12.78
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE C 687
LEU A1016
GLY A 871
PHE A 870
0.90A13.04
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
ILE C 472
LEU C 464
GLY C 465
PHE C 467
1.27A20.36
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6m1d ACE2
(Homo
sapiens)		4 / 5
ILE B 753
LEU B 743
GLY B 747
PHE B 746
1.25A16.82
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
TYR A 383
ILE A 345
LEU A 503
PHE A 379
1.30A12.62
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 5
TYR H 194
ILE H 195
LEU H 124
GLY H 139
1.58A17.77
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 5
TYR B 198
ILE B 199
LEU B 128
GLY B 143
1.55A21.92
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 5
TYR H 198
ILE H 199
LEU H 128
GLY H 143
1.54A21.92
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 5
TYR H 198
ILE H 199
LEU H 128
GLY H 143
1.56A21.38
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 5
TYR B 198
ILE B 199
LEU B 128
GLY B 143
1.55A21.92
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 5
TYR H 198
ILE H 199
LEU H 128
GLY H 143
1.55A21.92
None