Ligand ID: TIM


Drugbank ID:
DB00373
(Timolol)


Indication:
In its oral form it is used to treat high blood pressure and prevent heart attacks, and occasionally to prevent migraine headaches. In its opthalmic form it is used to treat open-angle and occasionally secondary glaucoma.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TIM' 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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		3 / 3
THR F 376
SER F 375
PHE F 342
1.33A19.40
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6m71 NSP12
(SARS-CoV-2)		5 / 12
THR A 276
VAL A 353
VAL A 354
PHE A 652
ASN A 300
1.77A19.11
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6m71 NSP12
NSP8
(SARS-CoV-2)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.56A19.11
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR A 385
SER A 383
PHE A 392
1.22A17.77
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR B1066
SER B 721
PHE B 800
1.34A17.72
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR A 376
SER A 375
PHE A 342
1.28A17.72
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR C 385
SER H  96
PHE C 515
1.73A15.15
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		3 / 3
THR C 376
SER C 375
PHE C 342
1.44A15.15
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		3 / 3
THR C 385
SER C 383
PHE C 377
1.65A15.15
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR H 100
SER C 383
PHE C 377
1.70A15.24
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR H 100
SER H  96
PHE C 515
1.72A15.24
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6w4b NSP9
(SARS-CoV-2)		3 / 3
THR A 110
SER A 106
PHE A  76
0.55A11.63
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
THR B 282
SER B 289
PHE B 269
1.54A22.07
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
THR A 282
SER A 289
PHE A 269
1.55A22.07
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR E 385
SER H 100
PHE E 515
1.72A18.31
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR E 523
SER E 359
PHE E 515
1.70A18.31
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR A 523
SER A 359
PHE A 515
1.70A18.31
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR A 385
SER B 100
PHE A 515
1.73A18.31
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR H 104
SER E 383
PHE E 429
1.42A18.57
None
DMS  L1601 (-3.5A)
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR H 104
SER E 383
PHE E 429
1.48A18.57
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR E 385
SER H 100
PHE E 515
1.71A18.31
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR E 523
SER E 359
PHE E 515
1.73A18.31
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR E 523
SER E 359
PHE E 515
1.69A16.84
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR A 385
SER B 100
PHE A 515
1.71A16.84
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
THR A 523
SER A 359
PHE A 515
1.69A16.84
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR B 104
SER A 383
PHE A 429
1.41A18.57
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR H 104
SER E 383
PHE E 429
1.42A18.57
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		3 / 3
THR E 385
SER H 100
PHE E 515
1.71A16.84
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.49A19.11
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.46A19.11
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.48A19.27
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.41A19.27
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		7bv2 NSP12
NSP8
(SARS-CoV-2)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.60A19.27
None