Ligand ID: JTZ


Drugbank ID:
DB00866
(Alprenolol)


Indication:
For the treatment of hypertension, angina, and arrhythmia

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'JTZ' 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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2ajf ACE2
(Homo
sapiens)		5 / 12
ASP A 382
SER A  44
PHE A  40
ASN A 394
TYR A 385
1.66A21.04
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
VAL E 394
VAL E 496
SER E 362
ASN E 424
TYR E 481
1.72A14.93
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 160
VAL H 163
VAL H 182
SER H 180
ASN H 197
1.40A18.74
None
None
None
None
PO4  H 501 (-3.8A)
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP A 393
VAL A 394
SER A 362
ASN A 424
TYR A 481
1.55A18.01
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2gri NSP3
(SARSr)		5 / 12
VAL A  63
VAL A  62
SER A  84
PHE A  88
TYR A  43
1.47A12.72
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
THR A 116
VAL A 114
VAL A 114
SER A 110
SER A  19
1.38A10.45
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
THR A 116
ASP A 115
VAL A 114
VAL A 114
SER A  19
1.20A10.45
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
ASP A 115
VAL A 114
VAL A 114
SER A 110
SER A  19
1.50A10.45
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
THR E  33
VAL E  35
SER D 273
ASN D 277
ASN E  11
1.57A20.59
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL A 394
VAL A 496
SER A 362
ASN A 424
TYR A 481
1.71A16.20
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
VAL H 165
VAL H 183
SER H 181
ASN H 198
ASN H 157
1.44A17.46
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.48A15.27
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.52A16.18
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.52A20.43
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP F 393
VAL F 394
SER F 362
ASN F 424
TYR F 481
1.52A16.29
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 394
VAL E 496
SER E 362
ASN E 424
TYR E 481
1.69A16.67
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A  64
SER A  35
PHE A 262
PHE A  62
TYR A  41
1.67A21.36
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
THR C 247
VAL C  97
VAL C  98
PHE C  89
ASN C  78
1.66A17.37
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		5x5f S PROTEIN
(MERS-CoV)		6 / 12
THR C 533
VAL C 534
VAL C 530
SER C 557
ASN C 468
ASN C 398
1.66A16.33
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER B  64
SER B  35
PHE B 262
PHE B  62
TYR B  41
1.32A17.97
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER B  64
SER B  35
PHE B 262
PHE B  62
TYR B  41
1.36A17.60
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 439
VAL C 441
SER C 122
SER C 118
PHE C 289
1.71A22.02
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 897
SER B1093
PHE B 700
PHE B1091
ASN B 699
1.71A17.15
None
None
None
None
NAG  B1329 (-1.8A)
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		6 / 12
THR H 174
VAL H 177
VAL H 196
SER H 194
ASN H 211
ASN H 169
1.56A17.95
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6nur NSP12
NSP8
(SARSr-CoV)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.68A20.23
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL H 182
VAL H 181
PHE L 116
PHE L 118
ASN L 137
1.61A15.24
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
THR H 160
VAL H 163
VAL H 182
SER H 180
ASN H 197
1.48A15.24
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.53A15.24
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yla HEAVY CHAIN
(Homo
sapiens)		6 / 12
THR B 164
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.52A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yla HEAVY CHAIN
(Homo
sapiens)		6 / 12
THR H 164
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.50A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.54A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.55A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
VAL H 186
SER H 184
ASN H 201
1.46A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.51A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.47A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yor IGG H CHAIN
(Homo
sapiens)		6 / 12
THR B 164
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.50A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.54A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.53A18.57
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.
3NYA_A_JTZA1203_1
(BETA-2 ADRENERGIC
RECEPTOR, LYSOZYME)		6yor IGG H CHAIN
(Homo
sapiens)		6 / 12
THR H 164
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.51A18.57
None