Ligand ID: NBO


Drugbank ID:
DB00461
(Nabumetone)



Indication:
For acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis.


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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'NBO' 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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
1q2w 3C-LIKE PROTEASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.52A17.41
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
1q2w 3C-LIKE PROTEASE
(SARSr-CoV)
4 / 7
ASN B 214
ALA B 211
GLU B 288
LEU B   0
1.43A17.41
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)
4 / 7
THR A  54
PRO A  58
ASN A  55
GLY A  92
1.21A19.10
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.50A17.24
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)
4 / 7
THR B  98
GLY B  15
ASN B  95
GLY B  29
1.23A22.01
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
1wof 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.52A17.29
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
1x7q HLA, A-11
(Homo
sapiens)
4 / 7
ASP A 116
ALA A 140
LYS A 144
GLU A 148
1.51A17.49
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
1xak ORF7A ACCESSORY
PROTEIN
(SARSr-CoV)
4 / 7
ASP A  54
ALA A  51
GLU A  18
LEU A   2
1.65A10.38
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.52A17.50
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)
4 / 7
GLY A 255
ASN A 254
GLY D 190
THR D 189
0.99A20.58
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)
4 / 7
ASP B 352
ASN B 353
LYS B 355
LEU B 354
1.59A13.64
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2ajf ACE2
(Homo
sapiens)
4 / 7
ASN A 149
ALA A 153
GLU A 160
LEU A 144
1.50A22.43
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.51A17.24
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2amq 3C-LIKE
PROTEINASE

(SARSr-CoV;
synthetic
construct)
4 / 7
ALA A 173
GLU A 166
LYS C   2
LEU C   4
1.53A17.29
None
PJE  C   5 (-3.7A)
02J  C   1 ( 3.1A)
PJE  C   5 ( 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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)
4 / 7
THR B  98
GLY B  15
ASN B  95
GLY B  29
1.23A21.72
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2dd8 IGG LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP L  82
ALA L  84
LYS L 103
LEU L  73
1.42A17.15
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)
4 / 7
ASN C  41
ALA B 103
LYS C  45
LEU C  44
1.49A13.29
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
2g9t ORF1A POLYPROTEIN
(SARSr-CoV)
4 / 7
THR H 111
GLY H 109
PRO H 107
THR H 102
1.08A17.44
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)
4 / 7
ASP M  64
ASN I 105
ALA I 104
GLU M  66
1.58A13.56
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)
4 / 7
ASP B 214
ALA B 216
LYS B 235
LEU B 205
1.41A14.55
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)
4 / 7
ASP A 263
ASN A 221
ALA A 266
LEU A 220
1.66A17.50
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)
4 / 7
GLY A 288
TYR A 299
GLY A 296
THR A 266
0.85A14.50
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)
4 / 7
ALA A  33
LYS A  24
GLU A  49
LEU A 108
0.99A11.69
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)
4 / 7
ASP A  61
LYS A  24
GLU A  49
LEU A 108
1.24A11.69
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.53A17.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
4 / 7
ASN B  29
ALA B  30
GLU B  91
LYS B  46
1.25A20.27
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.51A17.63
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.52A17.67
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2qc2 3C-LIKE PROTEINASE
(-)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.52A17.74
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.53A17.26
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.52A17.44
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
4 / 7
ASP A  39
LYS C  46
GLU C  91
LEU C  49
1.54A20.37
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
4 / 7
PRO A  65
ASN A  62
GLY C 286
THR C 285
1.23A19.90
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
2vj1 MAIN PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.51A16.84
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
2w2g NSP3
(SARSr-CoV)
4 / 7
ASN A 409
GLU A 482
LYS A 410
LEU A 411
1.48A19.55
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3avz 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.49A16.58
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
4 / 7
ASP B 543
GLU A 536
LYS B 416
LEU B 418
1.63A22.03
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.54A17.41
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.49A17.58
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
4 / 7
ASN B  33
ALA B   8
GLU B 104
LEU B  42
1.16A13.86
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
4 / 7
GLY A  17
TYR A  66
GLY C  63
THR C  62
1.25A15.94
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.50A16.64
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.50A17.86
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.48A17.29
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
4 / 7
ASN B 117
GLU B 110
LYS B 114
LEU B 116
1.61A22.00
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
3sna 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.53A17.35
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
3vb4 3C-LIKE PROTEINASE
B4Z INHIBITOR
(SARSr-CoV)
4 / 7
ALA B 173
GLU B 166
LYS F   2
LEU F   4
1.52A17.24
None
0JU  F   5 (-3.7A)
BOC  F   1 ( 3.0A)
0JU  F   5 ( 4.4A)
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.54A17.09
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
4mds 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.54A17.47
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)
4 / 7
ASP B 287
ALA B 289
LYS B 106
LEU B 119
1.68A19.29
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)
4 / 7
GLY B 164
TYR B 269
GLY A 210
THR A 211
1.22A21.20
S88  B 902 (-3.4A)
S88  B 902 ( 3.6A)
S88  B 902 (-3.6A)
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.53A17.73
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 7
GLY B  93
PRO B 106
ASN B 104
GLY B 123
THR B 134
1.55A21.22
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5c8s NSP10
(SARSr-CoV)
4 / 7
THR A 111
GLY A 109
PRO A 107
THR A 101
1.21A16.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)
4 / 7
ASP D  10
ASN C   3
ALA C   4
GLU C   6
1.36A20.50
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)
4 / 7
ASP D  10
ASN C   3
ALA C   4
GLU C   6
1.32A20.47
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 7
GLY B  93
PRO B 106
ASN B 104
GLY B 123
THR B 134
1.62A20.99
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
4 / 7
ASP A  10
ASN M   3
ALA M   4
GLU M   6
1.53A19.88
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
5 / 7
GLY D  93
PRO D 106
ASN D 104
GLY D 123
THR D 134
1.62A20.73
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
4 / 7
THR O 111
GLY O 109
PRO O 107
THR O 101
1.14A16.28
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)
4 / 7
GLY A  89
ASN A  86
GLY B 210
THR B 211
1.07A11.59
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
4 / 7
THR B 705
GLY B1026
GLY C 873
THR C 869
1.11A14.61
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
4 / 7
ASP A 171
ASN A  96
LYS A 180
LYS A 175
1.62A19.43
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
5x5f S PROTEIN
(MERS-CoV)
4 / 7
THR B 581
GLY B 610
TYR B 632
GLY B 640
1.10A13.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
ASP A1109
ASN A1107
ALA A1069
GLU A1066
1.55A19.47
ASP  A1109 ( 0.6A)
ASN  A1107 ( 0.6A)
ALA  A1069 ( 0.0A)
GLU  A1066 ( 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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
ASN C1005
ALA C1008
GLU C1013
LEU A1006
1.49A19.47
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)
4 / 7
THR C 486
GLY D 326
ASN D 330
GLY D 352
1.15A14.87
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)
6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
ARG C 315
VAL C 525
GLY C 311
LEU C 538
SER C 568
1.37A19.47
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6ack ACE2
(Homo
sapiens)
4 / 7
ASN D  33
ALA D  36
GLU D  75
LEU D  29
1.49A22.40
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
4 / 7
ASP B 684
ALA B 683
LYS C 768
LEU B 681
1.35A19.38
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
4 / 7
THR A 865
GLY A 867
TYR A 771
THR A 856
1.07A14.55
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6iex MHC CLASS I ANTIGEN
(Homo
sapiens)
4 / 7
ASN A 114
ALA A 125
GLU A 128
LEU A 156
1.38A20.68
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6jyt HELICASE
(SARSr-CoV)
4 / 7
ASN B 388
ALA B 237
GLU B 136
LEU B 384
1.29A22.64
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6m1d ACE2
(Homo
sapiens)
4 / 7
ASP D 368
ALA D 372
GLU D 310
LEU D 333
1.48A22.13
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
THR C 865
GLY C 867
TYR C 771
THR C 856
1.25A14.09
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6nus NSP12
(SARSr-CoV)
4 / 7
GLY A 352
TYR A 346
GLY A 345
THR A 344
1.16A15.71
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6nus NSP12
(SARSr-CoV)
4 / 7
ASN A 790
ALA A 625
LYS A 621
LEU A 786
1.45A20.37
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)
4 / 7
ASN F 487
ALA F 475
GLU B  23
LYS B  19
1.67A16.49
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)
4 / 7
GLY H  28
TYR H  52
GLY H  97
THR H 100
1.62A18.02
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
THR H 100
GLY H  97
TYR L  96
GLY H  35
1.50A18.02
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
GLY H  97
PRO H 100
TYR L  32
THR L  53
1.64A18.02
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
ASP L  82
ALA L  84
LYS L 103
LEU L  73
1.79A14.60
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
GLY L  41
PRO L  43
GLY H 106
THR H 107
1.60A18.55
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
GLY L  41
PRO L  43
TYR H  91
GLY H 104
1.37A18.55
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
THR L 172
PRO L 113
ASN L 138
GLY L 200
1.65A18.55
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
4 / 7
GLY L  47
PRO L  49
TYR H  95
GLY H 110
1.29A
1PE  L1603 (-3.6A)
None
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yla LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  90
LYS L 109
LEU L  79
1.74A17.61
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yla LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  19
GLU L 111
LEU L  15
1.64A17.61
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
4 / 7
THR H 104
GLY H 101
TYR L 102
GLY H  35
1.36A
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
4 / 7
THR B 104
GLY B 101
TYR C 102
GLY B  35
1.37A
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yla LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP C  88
ALA C  19
GLU C 111
LEU C  15
1.70A17.61
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
4 / 7
GLY C  47
PRO C  49
TYR B  95
GLY B 110
1.30A
1PE  C 301 (-3.6A)
None
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6ym0 HEAVY CHAIN
(Homo
sapiens)
4 / 7
GLY H  28
TYR H  52
GLY H 101
THR H 104
1.47A
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6ym0 LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  90
LYS L 109
LEU L  79
1.71A17.61
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6ym0 LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  90
LYS L 109
GLU L 111
1.45A17.61
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
4 / 7
THR H 104
GLY H 101
TYR L 102
GLY H  35
1.35A
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6ym0 LIGHT CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  19
GLU L 111
LEU L  15
1.76A17.61
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
4 / 7
GLY L  47
PRO L  49
TYR H  95
GLY H 110
1.35A
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
4 / 7
THR B 104
GLY B 101
TYR C 102
GLY B  35
1.37A
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yor IGG L CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  19
GLU L 111
LEU L  15
1.63A17.61
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
4 / 7
THR H 104
GLY H 101
TYR L 102
GLY H  35
1.35A
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
4 / 7
GLY C  47
PRO C  49
TYR B  95
GLY B 110
1.29A
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yor IGG L CHAIN
(Homo
sapiens)
4 / 7
ASP L  88
ALA L  90
LYS L 109
LEU L  79
1.74A17.61
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
4 / 7
GLY L  47
PRO L  49
TYR H  95
GLY H 110
1.29A
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yor IGG L CHAIN
(Homo
sapiens)
4 / 7
ASP C  88
ALA C  19
GLU C 111
LEU C  15
1.64A17.61
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
6yor IGG L CHAIN
(Homo
sapiens)
4 / 7
ASP C  88
ALA C  90
LYS C 109
LEU C  79
1.74A17.61
None