Ligand ID: 010


Drugbank ID:
DB06770
(Benzyl alcohol)


Indication:
Ulesfia (benzyl alcohol) lotion is indicated for the topical treatment of head lice infestation in patients 6 months of age and older. Ulesfia Lotion does not have ovicidal activity.

Get human targets for 010 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '010' 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.35A44.59
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.
4II8_A_010A210_0
(LYSOZYME C)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLU A  47
ASP A  48
ASN A  53
ILE A  43
1.73A20.45
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B 130
HIS B 134
GLY B 174
1.36A45.28
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 11
ALA A  28
ALA A  16
LEU A  44
LEU A  88
HIS A  48
1.73A14.23
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA B 940
ALA C1155
LEU C 941
LEU A 944
VAL C 945
1.48A14.03
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B 130
HIS B 134
GLY B 174
1.41A45.98
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.28A44.55
I12  A1145 (-4.1A)
I12  A1145 ( 4.6A)
I12  A1145 (-4.2A)
I12  A1145 (-3.1A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B1165
HIS B1041
GLY B1146
1.34A44.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B1087
HIS B1041
THR B1025
CYH B1038
1.45A44.98
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IWM_G_010G6_0
(3C-LIKE PROTEINASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR B1025
LEU B1027
MET B1049
ASN B1142
0.84A99.67
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.49A43.32
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA E  40
ALA F   7
LEU A  41
LEU C  44
VAL A  45
1.63A11.18
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.38A44.59
None
AZP  A 307 (-3.2A)
AZP  A 307 (-4.0A)
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		3 / 3
MET A 243
HIS A 276
GLY A 267
1.43A20.13
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.37A43.32
None
CY6  A1145 (-4.3A)
CY6  A1145 (-3.8A)
CY6  A1145 (-3.3A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.36A44.98
None
CY6  A1145 (-3.8A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.30A40.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.24A41.25
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.27A46.18
None
ENB  A 307 (-3.2A)
ENB  A 307 ( 4.9A)
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)		3 / 3
MET B  62
HIS B  95
GLY B  86
1.46A19.81
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASN A 129
LEU A 133
HIS A 176
1.16A23.34
SO4  A 320 (-4.0A)
None
SO4  A 320 (-4.1A)
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		2fxp SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA B  34
ALA C  34
VAL A  33
LEU C  37
LEU A  41
1.67A7.28
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.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 5
ASN T  62
HIS T  48
THR T  51
CYH T  46
1.47A17.97
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
ASN A 109
LEU A 111
HIS A  72
1.22A16.45
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
ASN A  69
LEU A  66
HIS A  70
1.03A16.45
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
ASN A 115
LEU A  66
HIS A   2
1.11A16.45
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.29A41.01
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.25A42.95
AZP  A 401 (-4.1A)
AZP  A 401 ( 4.7A)
AZP  A 401 (-3.4A)
AZP  A 401 (-3.4A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A 165
HIS A  41
GLY A 146
1.50A44.69
AZP  A 401 (-3.4A)
AZP  A 401 (-3.4A)
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		3 / 3
ASN B 355
LEU B 353
HIS B 357
1.28A17.26
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ALA A 538
ALA A 540
VAL A 578
LEU A 533
TYR A 564
1.63A13.45
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 538
ALA A 540
VAL A 578
LEU A 533
TYR A 564
1.59A13.45
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 538
ALA A 540
VAL A 578
LEU A 533
TYR A 564
1.57A15.37
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.
4II8_A_010A210_0
(LYSOZYME C)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		4 / 7
GLU A 288
ASP A 289
ASN A 203
TRP A 207
1.79A21.74
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
ALA A  33
VAL A  52
LEU A  25
LEU A 105
VAL A  62
1.58A12.41
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		2kqv NSP3
(SARSr-CoV)		5 / 10
ALA A  16
ALA A  18
VAL A  56
LEU A  11
TYR A  42
1.45A17.36
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		2kqv NSP3
(SARSr-CoV)		5 / 11
ALA A  16
ALA A  18
VAL A  56
LEU A  11
TYR A  42
1.44A17.36
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.51A42.67
None
WR1  A 601 ( 4.5A)
WR1  A 601 (-4.0A)
WR1  A 601 (-3.1A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.37A44.34
None
WR1  A 601 (-4.0A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.25A40.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
MET B 130
HIS B 134
GLY B 174
1.45A45.13
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 5
LEU B  87
HIS B  41
THR B  25
CYH B  38
1.45A45.34
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A 165
HIS A  41
GLY A 146
1.52A44.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.30A40.38
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.35A44.01
None
CYV  A 302 ( 3.8A)
CYV  A 302 ( 4.6A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.50A42.35
CYV  A 302 ( 4.6A)
CYV  A 302 ( 4.3A)
CYV  A 302 ( 3.8A)
CYV  A 302 (-3.6A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
0.79A40.38
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.
4II8_A_010A210_0
(LYSOZYME C)		2w2g NSP3
(SARSr-CoV)		4 / 7
GLU B 432
ASP B 453
ASN B 409
ILE B 484
1.47A17.15
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IWM_G_010G6_0
(3C-LIKE PROTEINASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
MET A  49
ASN A 142
0.99A99.67
None
None
ALC  C   4 (-3.7A)
ALC  C   4 (-4.2A)
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.
4II8_A_010A210_0
(LYSOZYME C)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
GLN H 193
ASN H 157
ILE H 212
TRP H 190
1.65A20.09
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.
4II8_A_010A210_0
(LYSOZYME C)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLU A 197
ASP A 198
TRP A 461
ILE A 223
1.55A11.21
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ALA A 501
VAL A 184
LEU A 456
VAL A 463
TRP A 477
1.39A21.59
None
None
None
None
CL  A 902 (-4.6A)
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA A 501
VAL A 184
LEU A 456
VAL A 463
TRP A 477
1.42A21.59
None
None
None
None
CL  A 902 (-4.6A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.40A42.02
None
959  A 350 ( 4.8A)
959  A 350 (-3.9A)
959  A 350 (-3.2A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.29A40.58
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR B  25
LEU B  27
HIS B  41
GLY B 143
0.37A43.65
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.26A41.27
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.34A45.31
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		3e9s NSP3
(SARSr-CoV)		5 / 11
ALA A 177
LEU A 174
LEU A 121
TYR A 155
HIS A 176
1.77A21.22
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.36A44.98
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.36A43.32
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.29A41.27
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.27A41.03
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.46A44.66
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.20A41.32
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.47A44.90
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
0.98A41.27
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IWM_G_010G6_0
(3C-LIKE PROTEINASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR C  25
LEU C  27
MET C  49
ASN C 142
0.00A100.00
010  G   6 ( 4.1A)
PJE  G   5 (-4.2A)
010  G   6 (-4.7A)
010  G   6 (-3.8A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B  87
HIS B  41
THR B  25
CYH B  38
1.46A44.98
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.44A43.32
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.25A41.27
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR B  25
LEU B  27
HIS B  41
GLY B 143
0.48A43.59
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.22A41.64
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ASN A 129
LEU A 133
HIS A 176
1.23A23.28
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.
4II8_A_010A210_0
(LYSOZYME C)		3scj ACE2
(Homo
sapiens)		4 / 7
GLU A 197
ASP A 198
TRP A 461
ILE A 223
1.58A11.21
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.
4II8_A_010A210_0
(LYSOZYME C)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLU A 197
ASP A 198
TRP A 461
ILE A 223
1.62A11.57
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ALA A 501
VAL A 184
LEU A 456
VAL A 463
TRP A 477
1.47A22.38
None
None
None
None
CL  A 902 (-4.5A)
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA A 501
VAL A 184
LEU A 456
VAL A 463
TRP A 477
1.50A22.38
None
None
None
None
CL  A 902 (-4.5A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.49A43.38
None
ECC  H   5 ( 4.9A)
ECC  H   5 ( 4.3A)
ECC  H   5 ( 3.3A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.40A45.07
None
ECC  H   5 ( 4.3A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B  87
HIS B  41
THR B  25
CYH B  38
1.31A45.31
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.28A43.65
None
None
None
0JU  E   5 (-3.7A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.23A41.01
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR B  25
LEU B  27
HIS B  41
GLY B 143
0.41A42.95
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ASN A 129
LEU A 133
HIS A 176
1.27A22.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.40A43.42
DMS  A 402 (-4.4A)
None
23H  A 401 (-3.7A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.41A45.10
None
23H  A 401 (-3.7A)
DMS  A 402 (-4.4A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.30A41.03
DMS  A 403 (-4.1A)
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		3 / 3
ASN A 109
LEU A 106
HIS A 278
1.23A21.31
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 11
ALA A 115
ALA A 166
LEU A 170
LEU A 245
HIS A 171
1.62A19.92
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.42A43.65
None
None
3A7  A 401 ( 4.0A)
3A7  A 401 (-3.4A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		4twy 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A  84
LEU A  86
HIS A 164
1.16A41.27
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		3 / 3
MET B  25
HIS B  41
GLY B 146
0.47A46.25
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR B  25
LEU B  27
HIS B  41
GLY B 143
0.27A43.32
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.44A44.98
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN B  84
LEU B  86
HIS B 164
1.28A40.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B 165
HIS B  41
GLY B 146
1.31A44.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.37A45.31
None
SLH  A 401 (-3.7A)
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.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
ASN D 256
LEU D 280
HIS D 283
CYH D 279
1.41A20.52
None
None
None
ZN  D 602 (-2.4A)
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.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
ASN D 256
LEU D 280
HIS D 283
CYH D 279
1.45A20.52
None
None
None
ZN  D 602 (-2.3A)
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASN A 129
LEU A 133
HIS A 176
1.23A22.63
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 120
LEU A 124
LEU A 174
VAL A 126
TYR A 137
1.53A19.74
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.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
ASN D 256
LEU D 280
HIS D 283
CYH D 279
1.45A20.07
None
None
None
ZN  D 602 (-2.3A)
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASN B 129
LEU B 133
HIS B 176
1.12A23.85
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA B 136
ALA B 132
LEU B 133
LEU B 173
TYR B  84
1.74A21.18
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		5x59 S PROTEIN
(MERS-CoV)		5 / 11
ALA C1096
ALA C1099
VAL C1103
LEU C1134
VAL C 853
1.60A18.45
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.
4II8_A_010A210_0
(LYSOZYME C)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
ASP C 454
GLN A 112
ASN A 227
ILE A 228
1.61A8.57
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.
4II8_A_010A210_0
(LYSOZYME C)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
GLU B1183
ASN B1145
ILE B1147
TRP B1184
1.66A6.94
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA B 406
ALA B 398
VAL B 420
LEU B 412
VAL B 498
1.69A19.73
ALA  B 406 ( 0.0A)
ALA  B 398 ( 0.0A)
VAL  B 420 ( 0.6A)
LEU  B 412 ( 0.5A)
VAL  B 498 ( 0.6A)
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		6acj ACE2
(Homo
sapiens)		5 / 10
ALA D 501
VAL D 184
LEU D 456
VAL D 463
TRP D 477
1.30A22.22
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6acj ACE2
(Homo
sapiens)		5 / 11
ALA D 501
VAL D 184
LEU D 456
VAL D 463
TRP D 477
1.32A22.22
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.
4II8_A_010A210_0
(LYSOZYME C)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP B 454
GLN A 112
ASN A 227
ILE A 228
1.59A8.57
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.
6HRJ_A_010A302_0
(YNDL)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LYS C1010
GLU C1013
GLU A1013
PHE C1024
1.70A11.01
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.
5ONL_A_010A302_0
(YNDL)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LYS C1010
GLU C1013
GLU A1013
PHE C1024
1.71A10.80
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.
5ONL_A_010A302_0
(YNDL)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LYS A1010
GLU A1013
GLU B1013
PHE A1024
1.48A10.92
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.
6HRJ_A_010A302_0
(YNDL)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LYS A1010
GLU A1013
GLU B1013
PHE A1024
1.48A11.15
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ALA A1037
VAL A1042
LEU A 804
LEU A 920
VAL A 708
1.67A18.89
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.
4II8_A_010A210_0
(LYSOZYME C)		6cs2 ACE2
(Homo
sapiens)		4 / 7
GLU D 197
ASP D 198
TRP D 461
ILE D 223
1.46A11.21
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6cs2 ACE2
(Homo
sapiens)		5 / 11
ALA D 501
VAL D 184
LEU D 456
VAL D 463
TRP D 477
1.46A22.57
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		6cs2 ACE2
(Homo
sapiens)		5 / 10
ALA D 501
VAL D 184
LEU D 456
VAL D 463
TRP D 477
1.44A22.57
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.
4II8_A_010A210_0
(LYSOZYME C)		6lzg ACE2
(Homo
sapiens)		4 / 7
GLU A  56
GLN A  60
ASN A  58
ILE A  54
1.58A11.21
None
None
NAG  A 701 ( 3.8A)
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6m1d ACE2
(Homo
sapiens)		5 / 11
ALA D 403
VAL D 404
LEU D 570
TYR D 381
HIS D 378
1.67A22.77
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.
4II8_A_010A210_0
(LYSOZYME C)		6m1d ACE2
(Homo
sapiens)		4 / 7
ASP D 637
ASN D 636
TRP D 635
ILE D 679
1.63A9.49
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 11
ALA H 150
VAL H 198
LEU H 138
VAL H 196
TYR H 208
1.43A18.99
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 10
ALA H 150
VAL H 198
LEU H 138
VAL H 196
TYR H 208
1.41A18.99
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6nus NSP12
(SARSr-CoV)		5 / 11
ALA A 690
ALA A 634
LEU A 638
LEU A 576
HIS A 572
1.63A21.41
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6nus NSP8
(SARSr-CoV)		5 / 11
ALA B 162
VAL B 131
LEU B 184
LEU B 180
VAL B 132
1.79A17.12
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6vw1 ACE2
(Homo
sapiens)		5 / 11
ALA A 501
VAL A 184
LEU A 456
VAL A 463
TRP A 477
1.50A21.43
None
None
None
None
CL  A 705 ( 4.8A)
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		6vw1 ACE2
(Homo
sapiens)		5 / 10
ALA A 501
VAL A 184
LEU A 456
VAL A 463
TRP A 477
1.46A21.43
None
None
None
None
CL  A 705 ( 4.8A)
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ALA E 397
VAL E 395
LEU E 335
VAL E 524
TYR E 365
1.73A18.15
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ALA E 397
VAL E 395
LEU E 335
VAL E 524
TYR E 365
1.76A18.15
None