Ligand ID: 6U9


Drugbank ID:
DB00393
(Nimodipine)


Indication:
For use as an adjunct to improve neurologic outcome following subarachnoid hemorrhage (SAH) from ruptured intracranial berry aneurysms by reducing the incidence and severity of ischemic deficits.

Get human targets for 6U9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6U9' 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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 6
THR P  51
GLY P  52
GLU P  60
ILE P  99
1.00A18.06
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 6
GLY A  19
GLU A  54
PHE A  20
TYR A  57
1.19A16.97
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		2xyr NSP10
(SARSr-CoV)		4 / 6
THR B  51
GLY B  52
GLU B  60
ILE B  99
1.03A19.48
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		2xyv NSP10
(SARSr-CoV)		4 / 6
THR B  51
GLY B  52
GLU B  60
ILE B  99
1.12A16.48
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 6
GLY S 488
GLU H  95
TYR L  32
ILE L  29
1.13A20.21
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		3i6g HLA, A-2
(Homo
sapiens)		4 / 6
THR A 163
GLY A 162
GLU A 166
PHE A 109
1.04A22.71
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		5c8s NSP10
(SARSr-CoV)		4 / 6
THR C  51
GLY C  52
GLU C  60
ILE C  99
1.04A17.14
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR B 588
GLY B 587
TYR B 300
ILE B 299
0.93A13.50
THR  B 588 ( 0.9A)
GLY  B 587 ( 0.0A)
TYR  B 300 ( 1.3A)
ILE  B 299 ( 0.7A)
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR A 588
GLY A 587
TYR A 300
ILE A 299
0.90A13.50
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
THR C 588
GLY C 587
TYR C 300
ILE C 299
0.99A12.78
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
THR A 588
GLY A 587
TYR A 300
ILE A 299
0.79A13.04
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
THR C 408
PHE C 403
TYR C 139
ILE C 136
1.02A20.36
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
THR H 100
GLY H  97
TYR H  32
ILE H  30
1.72A17.77
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
THR H 100
GLY H  97
TYR H  52
ILE H  51
1.80A17.77
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
THR H 100
GLY H  95
TYR H  52
ILE H  51
1.47A17.77
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR B 104
GLY B 101
TYR B  32
ILE B  30
1.65A
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR B 104
GLY B  99
TYR B  52
ILE B  51
1.75A
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR H 104
GLY H 101
TYR H  32
ILE H  30
1.60A
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR H 104
GLY H  99
TYR H  52
ILE H  51
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR H 104
GLY H  99
TYR H  52
ILE H  51
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR H 104
GLY H 101
TYR H  32
ILE H  30
1.62A
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
THR B 104
GLY B  99
TYR B  52
ILE B  51
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
THR H 104
GLY H 101
TYR H  32
ILE H  30
1.60A
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
THR H 104
GLY H  99
TYR H  52
ILE H  51
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
THR B 104
GLY B 101
TYR B  32
ILE B  30
1.61A
None