Ligand ID: 4CH


Drugbank ID:
DB13154
(Parachlorophenol)


Indication:
Used as an intermediate in organic synthesis of dyes and drugs. Local antibacterial agent in root canal therapy, as topical antiseptic in ointments

Get human targets for 4CH in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '4CH' 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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 6
SER B  61
TYR B  63
PHE B  56
PHE A   8
1.41A14.08
None
None
None
GOL  A5003 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		1xak ORF7A ACCESSORY
PROTEIN
(SARSr-CoV)		4 / 6
SER A  29
PHE A  31
PHE A  39
PHE A  48
1.65A13.56
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		1yo4 HYPOTHETICAL PROTEIN
X4
(SARSr-CoV)		4 / 6
PHE A  39
PHE A  48
TYR A  25
VAL A  14
1.45A18.46
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		1yo4 HYPOTHETICAL PROTEIN
X4
(SARSr-CoV)		4 / 6
SER A  29
PHE A  31
PHE A  39
PHE A  48
1.62A11.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 7
HIS C 276
ASN C 219
LEU C 235
PHE C 298
1.76A19.35
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		2ajf ACE2
(Homo
sapiens)		4 / 6
PHE B 525
PHE B 400
TYR B 521
VAL B 574
1.57A12.39
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
THR A  27
TYR E 475
HIS E 445
TYR A  83
1.71A20.87
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.57A18.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 7
HIS A  95
ASN A  38
LEU A  54
PHE A 117
1.75A19.29
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
THR C 199
TRP B 107
HIS B 273
LEU B 163
1.76A23.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
SER C 358
PHE C 360
PHE C 329
PHE C 364
1.73A20.38
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 6
SER A 293
TYR A 342
PHE A 329
PHE A 341
1.75A20.61
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.61A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
SER E 293
TYR E 342
PHE E 329
PHE E 341
1.52A20.30
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
THR H 100
TRP L  96
HIS H  35
TYR L  94
1.73A21.64
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3bgf F26G19 FAB
(Mus
musculus)		4 / 6
PHE L 135
HIS H 166
THR H 184
VAL H 183
1.47A21.11
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 6
THR B  31
TYR B  52
TYR A 494
TYR B  32
1.38A20.40
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3bgf F26G19 FAB
(Mus
musculus)		4 / 6
PHE B 148
TYR B 177
THR B 110
VAL B 111
1.61A20.28
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
PHE B 525
PHE B 400
TYR B 521
VAL B 574
1.58A12.05
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.50A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3i6k HLA, A-2
(Homo
sapiens)		4 / 6
THR E 143
HIS E 114
TYR E 116
TYR E  84
1.57A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		4 / 6
SER B  61
TYR B  63
PHE B  56
PHE A   8
1.42A14.05
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3i6l HLA, A-24
(Homo
sapiens)		4 / 6
THR D 143
HIS D 114
TYR D 116
TYR D  84
1.76A23.84
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.57A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		3scj ACE2
(Homo
sapiens)		4 / 7
HIS A 401
ASN A 394
TYR A 385
PHE A  40
1.62A20.89
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
THR A  27
TYR E 475
HIS E 445
TYR A  83
1.66A20.75
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
PHE A 525
PHE A 400
TYR A 521
VAL A 574
1.62A11.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		3to2 MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		4 / 7
HIS A 114
TYR A  99
LEU C   6
PHE A  22
1.54A21.37
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE B 305
PHE B   8
THR B 304
VAL B 303
1.48A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
THR A 159
ASN A 110
TYR A 113
LEU A 163
1.80A22.31
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 7
HIS B  90
ASN B  89
LEU B  88
PHE B  96
1.75A23.30
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
THR D 475
TYR D 446
HIS D 486
TYR D 447
1.01A21.02
 ZN  D 603 ( 4.9A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
THR D  97
HIS D  95
ASN D 104
LEU D 105
1.76A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
THR D 475
TYR D 446
HIS D 486
TYR D 447
1.06A21.02
 ZN  D 603 ( 4.9A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
THR A 159
ASN A 110
TYR A 113
LEU A 163
1.64A23.30
None
AYE  B  76 ( 4.2A)
None
AYE  B  76 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
THR A 475
TYR A 446
HIS A 486
TYR A 447
1.27A20.90
 ZN  A 603 ( 3.9A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
HIS B  90
ASN B  89
LEU B  88
PHE B  96
1.72A22.05
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
THR A 236
ASN A 118
LEU A 170
PHE A 238
1.41A20.49
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
TRP A 340
TYR A 410
LEU A 412
PHE B 193
1.35A15.47
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
PHE B 888
HIS B1030
THR B1048
VAL B1047
1.59A8.31
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
THR A 159
ASN A 110
TYR A 113
LEU A 163
1.80A23.30
None
BME  A 402 (-4.3A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
TRP B 340
TYR B 410
LEU B 412
PHE A 193
1.35A15.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR A 252
HIS A  70
THR A  67
VAL A  66
1.64A8.31
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
SER B 500
TYR B 383
PHE B 451
PHE B 416
1.61A15.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
THR C 236
ASN C 118
LEU C 170
PHE C 238
1.31A15.30
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
PHE B 888
HIS B1030
THR B1048
VAL B1047
1.60A8.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
THR B 236
ASN B 118
LEU B 170
PHE B 238
1.39A15.78
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
SER C 785
TYR C 778
PHE C 784
PHE C 779
1.64A15.78
NAG  C1316 (-3.3A)
NAG  C1316 (-3.9A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6cs2 ACE2
(Homo
sapiens)		4 / 7
HIS D  34
ASN D  33
LEU D  29
PHE D  72
1.78A20.89
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
PHE B 888
HIS B1030
THR B1048
VAL B1047
1.49A8.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
ASN B  24
TYR B  10
LEU B  65
PHE A 241
1.42A14.05
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6jyt HELICASE
(SARSr-CoV)		4 / 7
HIS A 290
TYR A 324
LEU A 297
PHE A 357
1.78A19.58
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6m0j ACE2
(Homo
sapiens)		4 / 6
PHE A 525
PHE A 400
TYR A 521
VAL A 574
1.59A12.11
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6m17 ACE2
(Homo
sapiens)		4 / 7
THR B 686
ASN B 159
LEU B 162
PHE B 684
1.68A18.45
None
NAG  B 913 (-4.0A)
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
PHE C 283
PHE C 277
THR C 121
VAL C 125
1.57A10.41
LEU  C 707 (-3.8A)
LEU  C 707 (-3.3A)
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6m1d ACE2
(Homo
sapiens)		4 / 6
PHE D 230
HIS D 228
THR D 229
VAL D 226
1.55A12.11
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE A 888
PHE A 700
TYR A1049
VAL A 897
1.48A7.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C1070
PHE C1071
PHE C1103
PHE C1077
1.74A14.64
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6nus NSP12
(SARSr-CoV)		4 / 6
PHE A 471
PHE A 741
HIS A 739
VAL A 475
1.65A10.00
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
THR A  27
TYR A  83
LEU A  79
PHE E 456
1.33A20.89
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
PHE L 116
HIS H 164
THR H 183
VAL H 181
1.73A21.30
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
PHE H 146
TYR H 176
THR H  87
VAL H 111
1.65A24.00
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
TRP L 148
ASN L 158
LEU L 181
PHE L 209
1.69A15.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
TRP L 154
ASN L 164
LEU L 187
PHE L 215
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
TRP C 154
ASN C 164
LEU C 187
PHE C 215
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
PHE L 122
HIS H 168
THR H 187
VAL H 185
1.70A21.56
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
PHE C 122
HIS B 168
THR B 187
VAL B 185
1.72A21.56
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
PHE L 122
HIS H 168
THR H 187
VAL H 185
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
PHE L 122
HIS H 168
THR H 187
VAL H 185
1.68A21.56
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
TRP L 154
ASN L 164
LEU L 187
PHE L 215
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
TRP C 154
ASN C 164
LEU C 187
PHE C 215
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
PHE L 122
HIS H 168
THR H 187
VAL H 185
1.70A21.56
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
TRP L 154
ASN L 164
LEU L 187
PHE L 215
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
PHE L 122
HIS H 168
THR H 187
VAL H 185
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
PHE C 122
HIS B 168
THR B 187
VAL B 185
1.70A21.56
None