Ligand ID: DZP


Drugbank ID:
DB00829
(Diazepam)


Indication:
Used in the treatment of severe anxiety disorders, as a hypnotic in the short-term management of insomnia, as a sedative and premedicant, as an anticonvulsant, and in the management of alcohol withdrawal syndrome.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DZP' 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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B  44
ILE B  91
LEU B 106
VAL B 102
LEU B  88
1.65A11.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 12
LEU A  44
ILE A  91
LEU A 106
VAL A 102
LEU A  88
1.71A11.49
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
LEU A 250
LEU A 205
VAL A 204
LEU A 268
1.65A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
ILE A 200
PHE A 230
LEU A 268
LEU A 271
GLU A 288
LEU A 287
1.61A18.84
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 200
PHE A 230
LEU A 271
GLU A 288
LEU A 287
1.42A18.84
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		1zv7 SPIKE GLYCOPROTEIN
(SARS-COV
FRA)		5 / 12
ILE B  16
ASN B  20
LEU A  19
VAL A  22
GLU B  15
1.62A5.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		1zv7 SPIKE GLYCOPROTEIN
(SARS-COV
FRA)		5 / 12
ILE B  16
ASN B  20
LEU A  19
VAL A  22
GLU B  15
1.67A5.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
CYH A 202
LEU A 308
LEU A 322
VAL A 346
LEU A 194
1.63A15.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
LEU A 250
LEU A 205
VAL A 204
LEU A 268
1.63A18.57
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 118
PHE H 166
TYR L 179
VAL H 181
LEU H 124
1.69A15.94
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU C 124
ILE C  36
CYH C  93
TYR C 114
LEU C 128
1.71A15.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ILE B  36
CYH B  93
LEU B 128
VAL B  50
GLU B  27
1.51A15.75
None
None
None
APR  B 477 (-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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
CYH A 271
LEU B 186
LEU B 235
VAL B 221
LEU B 217
1.63A18.64
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 12
ILE A 105
LEU A   7
GLU A  44
LEU A  42
ARG A 108
1.69A12.90
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE C 345
THR C 320
ASN C 347
LEU C 504
PHE C 379
1.53A20.09
18.00
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 374
PHE C 325
LEU C 322
VAL C 349
LEU C 377
1.54A15.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
LEU D 153
VAL D 236
GLU D 211
LEU D 210
ARG D 193
1.38A16.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ILE A  85
PHE A  32
LEU A  36
LEU A  25
VAL A  52
1.34A10.74
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.
6HUP_D_DZPD2001_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 9
ASN A  76
PHE A  54
TYR A  88
SER A  52
TYR A 112
1.70A14.34
18.50
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		2wct NSP3
(SARSr-CoV)		5 / 12
LEU C 413
LEU C 411
GLU C 402
LEU C 401
ARG C 430
1.60A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A  50
PHE A 250
LEU A  89
VAL A  84
LEU A  85
1.71A18.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A  50
PHE A 250
LEU A  89
VAL A  84
LEU A  85
1.70A17.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
LEU A 250
LEU A 205
VAL A 204
LEU A 268
1.65A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 560
PHE B 525
LEU B 554
VAL B 404
LEU B 558
1.73A20.30
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU C  44
ILE C  91
LEU C 106
VAL C 102
LEU C  88
1.64A11.60
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A  95
LEU A  32
LEU A  30
VAL A  18
GLU A  14
1.61A19.02
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		5 / 11
ILE D 124
MET D  97
THR D  10
ASN D  77
LEU F   8
1.76A19.40
21.35
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 281
LEU A  89
LEU A 252
VAL A  61
LEU A  59
1.65A18.94
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A  50
PHE A 250
LEU A  89
VAL A  84
LEU A  85
1.71A18.94
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 120
ILE A 119
ASN A 117
LEU A 108
LEU A 186
1.65A20.18
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
ILE A 130
TYR A  84
LEU A  80
VAL A  75
LEU A  68
1.38A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
ILE A 117
PHE A 128
LEU A 174
VAL A 173
LEU A 170
1.40A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
LEU A 250
LEU A 205
VAL A 204
LEU A 268
1.65A19.60
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
LEU D 442
PRO D 443
THR D 516
THR D 472
LEU D 495
1.76A20.73
21.15
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ILE D 397
PHE D 445
LEU D 519
LEU D 322
LEU D 321
1.50A21.54
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
ILE A 201
MET A 241
ASN A  71
MET A  62
PHE A  73
1.80A20.11
20.56
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 930
LEU C 927
VAL C1043
GLU C 801
LEU C 804
1.54A17.22
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
ILE A 300
TYR A 231
VAL A 102
LEU A 100
ARG A 301
1.53A18.46
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.
6HUP_E_DZPE502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		5x4r S PROTEIN
(MERS-CoV)		5 / 10
LEU A 187
MET A 148
LEU A 172
THR A 206
PHE A 204
1.59A21.79
20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
ILE A 296
PHE A 164
LEU A 169
VAL A 170
LEU A 171
1.73A18.46
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 117
PHE A 103
LEU A 194
LEU A 224
VAL A 114
1.60A17.90
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ILE A 752
LEU A 994
THR B 991
THR A 988
LEU A 986
1.76A16.86
16.65
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU B 597
ILE B 637
CYH B 635
VAL B 606
LEU B 615
1.66A17.09
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
ILE A 296
PHE A 164
LEU A 169
VAL A 170
LEU A 171
1.73A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
ILE C 300
TYR C 231
VAL C 102
LEU C 100
ARG C 301
1.52A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUP_E_DZPE502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		5x5c S PROTEIN
(MERS-CoV)		5 / 10
LEU C 187
MET C 148
LEU C 172
THR C 206
PHE C 204
1.58A16.80
16.39
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE A1063
PRO A1061
MET C 882
ASN A1080
PHE A1077
1.65A17.33
17.88
ILE  A1063 ( 0.7A)
PRO  A1061 ( 1.1A)
MET  C 882 ( 0.0A)
ASN  A1080 ( 0.6A)
PHE  A1077 ( 1.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 735
ASN C 721
LEU C 745
VAL C 718
LEU C 986
1.58A17.22
LEU  C 735 ( 0.6A)
ASN  C 721 ( 0.6A)
LEU  C 745 ( 0.5A)
VAL  C 718 ( 0.6A)
LEU  C 986 ( 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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
ILE c  11
LEU B 948
LEU B 944
VAL A 945
LEU A 941
1.43A5.68
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
ASN C 951
PHE B 952
LEU B 948
LEU A 948
LEU c   8
1.49A9.58
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 803
ILE B 800
LEU B 930
VAL B1043
LEU B 927
1.56A17.30
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE C 117
LEU C 222
LEU C 224
VAL C 114
ARG C 126
1.44A17.30
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6acj ACE2
(Homo
sapiens)		5 / 12
LEU D 120
ILE D 119
ASN D 117
LEU D 108
LEU D 186
1.63A20.54
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE A 752
LEU A 994
THR C 991
THR A 988
LEU A 745
1.51A17.33
17.88
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 930
LEU C 927
VAL C1043
GLU C 801
LEU C 804
1.58A16.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ILE B 787
LEU B 788
THR B 775
ASN B 783
PHE B 779
1.56A17.09
17.88
None
None
None
NAG  B1310 (-1.8A)
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 735
ILE A 724
ASN A 721
VAL A 718
LEU A 745
1.63A17.51
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 930
LEU A 927
VAL A1043
GLU A 801
LEU A 804
1.25A17.51
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6cs2 ACE2
(Homo
sapiens)		5 / 12
LEU D 120
ILE D 119
ASN D 117
LEU D 108
LEU D 186
1.57A20.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A  81
TYR A 123
LEU C  10
GLU A 148
LEU A 147
1.64A19.35
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU A  92
CYH A  26
TYR A  70
LEU A  83
VAL A  89
1.61A21.96
None
ZN  A 701 (-2.5A)
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6jyt HELICASE
(SARSr-CoV)		5 / 11
ILE A  35
LEU B 147
THR B 141
ASN A 107
PHE B 145
1.67A21.36
21.11
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ASN A 268
PHE A 291
LEU A 295
TYR A 299
VAL A 397
1.63A21.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6lzg ACE2
(Homo
sapiens)		5 / 12
LEU A 120
ILE A 119
ASN A 117
LEU A 108
LEU A 186
1.73A20.67
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6m18 ACE2
(Homo
sapiens)		5 / 12
LEU D 120
ILE D 119
ASN D 117
LEU D 108
LEU D 186
1.65A21.35
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.
6HUP_E_DZPE502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6m1d ACE2
(Homo
sapiens)		5 / 10
PRO D 451
MET D 455
THR D 449
LEU D 267
PHE D 452
1.76A20.44
21.50
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6m1d ACE2
(Homo
sapiens)		5 / 11
PRO D 451
MET D 455
THR D 449
LEU D 267
PHE D 452
1.73A20.44
21.50
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE A 787
LEU A 788
THR A 775
ASN A 783
PHE A 779
1.53A17.17
17.55
None
None
None
NAG  A1333 (-1.8A)
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
LEU H  81
TYR H  94
LEU H  48
VAL H  64
GLU H  89
1.51A18.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		6nur NSP12
(SARSr-CoV)		5 / 11
ILE A 632
LEU A 655
THR A 531
LEU A 638
PHE A 571
1.74A19.35
18.63
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		6nur NSP12
(SARSr-CoV)		5 / 12
LEU A 187
LEU A 245
GLU A 254
LEU A 251
ARG A 183
1.67A20.27
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		6nus NSP12
(SARSr-CoV)		5 / 12
ILE A 266
LEU A 282
TYR A 286
LEU A 251
VAL A 320
1.21A20.27
None