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-COV-2 / COVID-19 STRUCTURES

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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
PHE C 305
PHE C   8
THR C 304
VAL C 303
1.49A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.55A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m71 NSP12
NSP7
(SARS-CoV-2)		4 / 6
PHE A 415
TYR A 420
THR C   9
VAL C  11
1.72A10.39
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
SER C  94
TYR C  91
TRP C 104
PHE C 192
1.68A14.22
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A  38
HIS A  49
TYR A 279
TYR A  37
1.47A16.30
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)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE A 906
PHE A 718
TYR A1067
VAL A 915
1.48A7.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A  38
HIS A  49
TYR A 279
TYR A  37
1.47A16.07
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE A 906
PHE A 718
TYR A1067
VAL A 915
1.57A7.61
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)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE C 906
PHE C 718
TYR C1067
VAL C 915
1.56A7.61
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR C  38
HIS C  49
TYR C 279
TYR C  37
1.47A16.07
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 6
SER B 294
TYR B 343
PHE B 330
PHE B 342
1.59A19.36
None
CIT  B 408 (-3.4A)
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_B_4CHB192_0
(DEHALOPEROXIDASE A)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
PHE A  39
PHE A  48
HIS A  32
VAL A  14
1.71A17.02
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
SER A  29
PHE A  31
PHE A  39
PHE A  48
1.67A11.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
PHE A  50
PHE A  48
TYR A  25
HIS A  32
1.59A17.02
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
PHE A  39
PHE A  48
HIS A  32
VAL A  14
1.71A17.02
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
PHE A  39
PHE A  48
TYR A  25
HIS A  32
1.54A17.02
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
PHE A  39
PHE A  48
TYR A  25
HIS A  32
1.53A17.02
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6w37 PROTEIN 7A
(SARS-CoV-2)		4 / 6
PHE A  39
PHE A  50
TYR A  60
HIS A  58
1.67A17.02
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
PHE A6954
PHE A6868
TYR A6950
THR A6918
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.55A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w6y NSP3
(SARS-CoV-2)		4 / 7
HIS B  94
ASN B  37
LEU B  53
PHE B 116
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w6y NSP3
(SARS-CoV-2)		4 / 7
HIS A  94
ASN A  37
LEU A  53
PHE A 116
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w75 NSP16
(SARS-CoV-2)		4 / 6
PHE A6954
PHE A6868
TYR A6950
THR A6918
1.75A18.90
None
None
FMT  A7109 ( 4.9A)
FMT  A7109 ( 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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6w75 NSP16
(SARS-CoV-2)		4 / 6
PHE C6954
PHE C6868
TYR C6950
THR C6918
1.71A18.90
None
None
None
FMT  C7113 ( 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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
THR C 158
ASN C 109
TYR C 112
LEU C 162
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
THR A 158
ASN A 109
TYR A 112
LEU A 162
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wcf NSP3
(SARS-CoV-2)		4 / 7
HIS A  94
ASN A  37
LEU A  53
PHE A 116
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6wen NSP3
(SARS-CoV-2)		4 / 7
HIS A  94
ASN A  37
LEU A  53
PHE A 116
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
THR C6989
TRP C6987
LEU C6857
PHE C6991
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
TYR A6930
HIS A6972
THR A6934
VAL A6937
1.76A17.33
FMT  A7103 ( 4.3A)
FMT  A7103 (-4.2A)
FMT  A7103 (-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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
PHE C6954
PHE C6868
TYR C6950
THR C6918
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
PHE A6954
PHE A6868
TYR A6950
THR A6918
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		4 / 6
PHE C6954
PHE C6868
TYR C6950
THR C6918
1.71A
None
None
None
FMT  C7108 ( 4.9A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6wkq NSP16
(SARS-CoV-2)		4 / 7
THR C6989
TRP C6987
LEU C6857
PHE C6991
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6wkq NSP16
(SARS-CoV-2)		4 / 6
PHE A6954
PHE A6868
TYR A6950
THR A6918
1.73A
None
None
None
FMT  A7108 ( 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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.54A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6y2e REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.50A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.59A22.75
None
DMS  A 403 (-3.8A)
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
THR E 393
HIS E 519
ASN L  35
PHE E 392
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
THR E 393
HIS E 519
ASN L  35
PHE E 392
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
THR A 393
HIS A 519
ASN C  35
PHE A 392
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
THR E 393
HIS E 519
ASN L  35
PHE E 392
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
HIS B  94
ASN B  37
LEU B  53
PHE B 116
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
HIS C  94
ASN C  37
LEU C  53
PHE C 116
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
HIS C  94
ASN C  37
LEU C  53
PHE C 116
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
HIS B  94
ASN B  37
LEU B  53
PHE B 116
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
HIS A  94
ASN A  37
LEU A  53
PHE A 116
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_B_4CHB192_0
(DEHALOPEROXIDASE A)		7btf NSP12
(SARS-CoV-2)		4 / 6
PHE A 859
PHE A 419
TYR A 887
VAL A 844
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 6
PHE A 415
TYR A 420
THR C   9
VAL C  11
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_B_4CHB192_0
(DEHALOPEROXIDASE A)		7bv1 NSP12
NSP7
(SARS-CoV-2)		4 / 6
PHE A 415
TYR A 420
THR C   9
VAL C  11
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
PHE A 859
PHE A 419
TYR A 887
VAL A 844
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 6
PHE A 415
TYR A 420
THR C   9
VAL C  11
1.63A9.66
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 6
PHE A 415
TYR A 420
THR C   9
VAL C  11
1.73A
None