Ligand ID: A80


Drugbank ID:
DB04942
(Tamibarotene)


Indication:
Investigated for use/treatment in leukemia (unspecified).

Get human targets for A80 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'A80'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
LEU A  88
THR B 109
THR A 109
VAL A 110
GLY A 100
LEU B 112
1.79A19.05
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.50A18.65
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H  67
LEU H  82
VAL H  18
THR H 107
VAL H 109
1.22A18.43
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PHE B  32
LEU B  37
VAL B  42
THR B   5
GLY B  53
1.32A16.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
LEU A   5
VAL A 110
THR A  68
VAL A  75
GLY A   1
1.19A21.64
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
PHE B   8
VAL B  13
VAL B 114
THR B 111
ARG B 298
1.47A18.51
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.50A19.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  67
VAL B  68
THR B  93
VAL B  91
ARG B  76
1.46A19.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 554
VAL A 573
THR A 517
GLY A 405
TYR A 207
1.49A13.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3e9s NSP3
(SARSr-CoV)		5 / 12
PHE A  32
LEU A  37
VAL A  42
THR A   5
GLY A  53
1.34A16.25
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.49A19.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.50A18.39
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
PHE A  32
LEU A  37
VAL A  42
THR A   5
GLY A  53
1.34A16.30
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 554
VAL A 573
THR A 517
GLY A 405
TYR A 207
1.43A13.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		3szn 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.45A19.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.41A18.53
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
PHE A  32
LEU A  37
VAL A  42
THR A   5
GLY A  53
1.33A16.67
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PHE A  32
LEU A  37
VAL A  42
THR A   5
GLY A  53
1.28A16.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.53A22.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.65A22.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.37A22.54
None
None
None
None
DMS  A 401 (-3.4A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.71A22.54
DMS  A 402 (-3.8A)
None
None
None
DMS  A 402 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A  68
LEU A  75
THR A  98
GLY A  71
LEU A 115
1.76A22.54
None
None
None
DMS  A 403 ( 4.6A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 230
VAL A 261
LEU A 250
VAL A 202
LEU A 232
1.76A22.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PHE D  32
LEU D  37
VAL D  42
THR D   5
GLY D  53
1.30A16.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5x59 S PROTEIN
(MERS-CoV)		5 / 12
VAL B 802
LEU B 835
VAL B1082
THR B1077
GLY B 931
1.51A7.59
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 636
THR A 841
VAL B 601
GLY B 653
LEU A 749
1.45A9.26
LEU  B 636 ( 0.6A)
THR  A 841 ( 0.8A)
VAL  B 601 ( 0.6A)
GLY  B 653 ( 0.0A)
LEU  A 749 ( 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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
PHE A  32
LEU A  37
VAL A  42
THR A   5
GLY A  53
1.46A16.15
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B1016
VAL B1015
VAL B 860
GLY B 867
LEU B 898
1.21A9.26
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ack ACE2
(Homo
sapiens)		5 / 12
PHE D 464
VAL D 185
LEU D 186
LEU D 456
ARG D 460
1.46A13.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL B1078
THR C 869
ARG B1089
GLY B1075
TYR B1049
1.43A8.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL A1078
THR B 869
ARG A1089
GLY A1075
TYR A1049
1.34A8.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU B  14
VAL B  42
THR B  37
VAL B  34
LEU B 130
1.49A12.19
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 230
VAL A 261
LEU A 250
VAL A 202
LEU A 232
1.73A19.74
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  13
LEU A 115
VAL A 114
THR A 175
GLY A  29
1.63A19.74
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.67A19.74
None
None
DMS  A 403 ( 4.9A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.46A19.74
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6lzg ACE2
(Homo
sapiens)		5 / 12
LEU A 554
VAL A 573
THR A 517
GLY A 405
TYR A 207
1.48A13.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m03 MAIN PROTEASE
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.35A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.67A19.67
None
None
DMS  A 401 ( 4.8A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.51A19.67
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m17 ACE2
(Homo
sapiens)		5 / 12
LEU D 554
VAL D 573
THR D 517
GLY D 405
TYR D 207
1.35A10.57
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE D 103
VAL D  86
LEU D  87
THR D  98
GLY D  29
1.51A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL B  13
LEU B 115
VAL B 114
THR B 175
GLY B  29
1.63A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE C 103
VAL C  86
LEU C  87
THR C  98
GLY C  29
1.49A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU C  67
VAL C  68
THR C  93
VAL C  91
ARG C  76
1.69A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL C  13
LEU C 115
VAL C 114
THR C 175
GLY C  29
1.67A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU A 205
VAL A 261
THR A 304
THR A 257
ARG A 217
1.56A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.50A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL C 148
LEU C  30
VAL C  18
THR C  25
VAL C  68
1.69A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE D   8
VAL D  13
VAL D 114
THR D 111
ARG D 298
1.56A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL B 148
LEU B  30
VAL B  18
THR B  25
VAL B  68
1.65A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE C   8
VAL C  13
VAL C 114
THR C 111
ARG C 298
1.56A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL D  13
LEU D 115
VAL D 114
THR D 175
GLY D  29
1.63A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.65A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE B 103
VAL B  86
LEU B  87
THR B  98
GLY B  29
1.49A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A 157
VAL A 114
THR A 292
ARG A 298
1.59A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU B  67
VAL B  68
THR B  93
VAL B  91
ARG B  76
1.52A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  13
LEU A 115
VAL A 114
THR A 175
GLY A  29
1.60A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.38A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.48A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.64A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.54A19.61
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m71 NSP12
(SARS-CoV-2)		5 / 12
VAL A 848
LEU A 854
VAL A 860
ARG A 858
LEU A 437
1.54A10.18
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
PHE A 506
VAL B  83
LEU A 514
THR A 567
THR A 565
1.65A10.18
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 326
VAL A 315
LEU A 316
VAL A 320
LEU A 329
1.63A10.18
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B1078
THR A 869
ARG B1089
GLY B1075
TYR B1049
1.45A8.00
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
VAL A  70
LEU A  73
VAL A  78
THR A 106
LEU A  50
1.41A18.47
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6vxs NSP3
(SARS-CoV-2)		5 / 12
VAL B 151
LEU B 122
VAL B  36
VAL B  95
LEU B 160
1.68A
None
None
None
None
SO4  B 204 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6vxs NSP3
(SARS-CoV-2)		5 / 12
VAL A 151
LEU A 122
VAL A  36
VAL A  95
LEU A 160
1.67A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
LEU H  45
THR H 110
THR H 108
LEU H 170
TYR H 176
1.43A16.56
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL H 152
VAL H 181
THR L 178
VAL L 133
LEU H 170
1.50A16.56
None
None
GOL  L 301 (-3.6A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w4b NSP9
(SARS-CoV-2)		6 / 12
LEU A  89
THR B 110
THR A 110
VAL A 111
GLY A 101
LEU B 113
1.66A17.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.52A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A  13
LEU A 115
VAL A 114
THR A 175
GLY A  29
1.61A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.48A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.67A
None
None
None
X77  A 401 (-4.2A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL A  30
VAL A 121
THR A  13
GLY A   8
LEU A 140
1.79A24.39
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 142
LEU A 109
VAL A  96
LEU A 123
1.78A24.39
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 142
LEU B 109
VAL B  96
LEU B 123
1.73A24.39
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B 155
LEU B 126
THR B  13
VAL B 144
TYR A  17
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B 151
LEU B 122
VAL B  36
VAL B  95
LEU B 160
1.70A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B  30
VAL B 121
THR B  13
GLY B   8
LEU B 140
1.75A24.39
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL A 155
LEU A 126
THR A  13
VAL A 144
TYR B  17
1.63A
AMP  A 201 ( 4.4A)
AMP  A 201 ( 4.4A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU C6893
VAL C6894
VAL A7094
GLY C6890
ARG C7081
1.75A23.03
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU A6893
VAL A6894
VAL C7094
GLY A6890
ARG A7081
1.79A23.03
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A  31
LEU A  36
VAL A  41
THR A   4
GLY A  52
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C  31
LEU C  36
VAL C  41
THR C   4
GLY C  52
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B  31
LEU B  36
VAL B  41
THR B   4
GLY B  52
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wen NSP3
(SARS-CoV-2)		5 / 12
VAL A 151
LEU A 122
VAL A  36
VAL A  95
LEU A 160
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wey NSP3
(SARS-CoV-2)		5 / 12
VAL A 234
VAL A 325
THR A 217
GLY A 212
LEU A 344
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
VAL A  70
LEU A  73
VAL A  78
THR A 106
LEU A  50
1.42A
EDO  A 408 (-4.0A)
None
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
VAL B  70
LEU B  73
VAL B  78
THR B 106
LEU B  50
1.45A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.66A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.61A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL D 151
LEU D 122
VAL D  36
VAL D  95
LEU D 160
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL C 151
LEU C 122
VAL C  36
VAL C  95
LEU C 160
1.73A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.50A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.57A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.42A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A  13
LEU A 115
VAL A 114
THR A 175
GLY A  29
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.63A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6wrh NSP3
(SARS-CoV-2)		5 / 12
PHE A  31
LEU A  36
VAL A  41
THR A   4
GLY A  52
1.37A17.03
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.52A22.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.65A22.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A 230
VAL A 261
LEU A 250
VAL A 202
LEU A 232
1.78A22.54
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.69A22.54
DMS  A 403 (-3.8A)
None
None
None
DMS  A 403 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.38A22.54
DMS  A 402 ( 4.8A)
None
None
None
DMS  A 401 (-3.4A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 156
VAL H 185
THR L 184
VAL L 139
LEU H 174
1.43A
None
None
None
None
MLI  H 304 (-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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL B 156
VAL B 185
THR C 184
VAL C 139
LEU B 174
1.46A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 156
VAL H 185
THR L 184
VAL L 139
LEU H 174
1.43A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  20
1.72A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A 230
VAL A 261
LEU A 250
VAL A 202
LEU A 232
1.73A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.53A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.54A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.33A
None
None
None
None
DMS  A 501 (-3.1A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL B 156
VAL B 185
THR C 184
VAL C 139
LEU B 174
1.43A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL H 156
VAL H 185
THR L 184
VAL L 139
LEU H 174
1.43A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.54A
None
None
None
CL  A 406 ( 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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.53A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.66A
None
None
None
PK8  A 401 ( 4.4A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  68
THR A  93
VAL A  91
ARG A  76
1.33A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A 151
LEU A 122
VAL A  36
VAL A  95
LEU A 160
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  95
LEU A 127
THR D 146
VAL A 142
GLY A  78
1.72A
None
EDO  A 202 ( 4.8A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  95
LEU D 127
THR A 146
VAL D 142
GLY D  78
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B 151
LEU B 122
VAL B  36
VAL B  95
LEU B 160
1.73A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  30
VAL E 121
THR E  13
GLY E   8
LEU E 140
1.72A
None
None
None
EDO  E 203 (-4.8A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A 151
LEU A 122
VAL A  36
VAL A  95
LEU A 160
1.70A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D 151
LEU D 122
VAL D  36
VAL D  95
LEU D 160
1.67A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  95
LEU D 127
THR A 146
VAL D 142
GLY D  78
1.73A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A 151
LEU A 122
VAL A  36
VAL A  95
LEU A 160
1.68A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B 151
LEU B 122
VAL B  36
VAL B  95
LEU B 160
1.71A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C 151
LEU C 122
VAL C  36
VAL C  95
LEU C 160
1.69A
None
None
None
None
EDO  C 203 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.54A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.64A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.56A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 146
VAL A 182
ARG A 181
LEU A 119
TYR A 217
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 326
VAL A 315
LEU A 316
VAL A 320
LEU A 329
1.58A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
VAL A 472
VAL A 700
LEU A 575
TYR A 483
1.68A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  13
LEU A 115
VAL A 114
THR A 175
GLY A  29
1.63A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 148
LEU A  30
VAL A  18
THR A  25
VAL A  68
1.66A
None
None
DMS  A 403 ( 4.9A)
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  68
LEU A  75
THR A  98
GLY A  71
LEU A 115
1.71A
None
None
None
DMS  A 403 (-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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 103
VAL A  86
LEU A  87
THR A  98
GLY A  29
1.51A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
PHE A 506
VAL B  83
LEU A 514
THR A 567
THR A 565
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
VAL A 472
VAL A 700
LEU A 575
TYR A 483
1.70A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 326
VAL A 315
LEU A 316
VAL A 320
LEU A 329
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 146
VAL A 182
ARG A 181
LEU A 119
TYR A 217
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
PHE A 506
VAL B  83
LEU A 514
THR A 567
THR A 565
1.72A
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
VAL A 472
VAL A 700
LEU A 575
TYR A 483
1.70A
None