Ligand ID: KLT


Drugbank ID:
DB00310
(Chlorthalidone)


Indication:
For management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'KLT' 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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.59A21.51
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.73A21.51
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.58A23.05
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.59A22.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN C 244
VAL C 247
LEU C 262
THR C 225
THR C 226
1.65A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN C 231
HIS C 246
VAL C 261
LEU C 205
THR C 201
1.57A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN D 231
HIS D 246
VAL D 261
LEU D 205
THR D 201
1.60A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN C 214
VAL C 296
VAL C 297
LEU C 253
THR C 257
1.79A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.60A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.59A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.58A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASN A 312
VAL A 128
LEU A 247
THR A 248
THR A 246
1.64A14.33
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN B 317
GLN B 314
LEU C 861
THR C 734
THR C 859
1.43A11.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN A 317
GLN A 314
LEU B 861
THR B 734
THR B 859
1.56A11.66
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN B 317
GLN B 314
LEU C 861
THR C 734
THR C 859
1.47A11.66
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
ASN C 422
VAL C 512
VAL C 433
LEU C 425
PRO C 463
1.70A21.05
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.62A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wiq NSP8
(SARS-CoV-2)		5 / 12
ASN B 105
ASN B 109
VAL B 130
VAL B 186
THR B 148
1.51A20.33
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wiq NSP8
(SARS-CoV-2)		5 / 12
ASN B 105
ASN B 109
VAL B 186
LEU B 128
PRO B 121
1.63A20.33
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.58A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN C 159
HIS B 119
VAL B  34
VAL B  36
THR B 149
1.76A21.77
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 159
HIS D 119
VAL D  34
VAL D  36
THR D 149
1.76A21.77
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ASN D 105
VAL D 130
VAL D 131
THR D 137
THR D 141
1.72A20.33
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ASN B 105
ASN B 109
VAL B 186
LEU B 128
PRO B 121
1.54A20.33
EDO  B 301 (-3.9A)
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ASN D 105
ASN D 109
VAL D 186
LEU D 128
PRO D 121
1.53A20.33
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ASN B 105
VAL B 130
VAL B 131
THR B 137
THR B 141
1.73A20.33
EDO  B 301 (-3.9A)
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.64A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASN A 214
VAL A 296
VAL A 297
LEU A 253
THR A 257
1.75A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.59A21.89
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.75A21.89
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ASN D 105
ASN D 109
VAL D 186
LEU D 128
PRO D 121
1.59A18.60
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ASN D 105
ASN D 109
VAL D 130
VAL D 186
THR D 148
1.52A18.60
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN E 422
VAL E 512
VAL E 433
LEU E 425
PRO E 463
1.73A21.27
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN A 422
VAL A 512
VAL A 433
LEU A 425
PRO A 463
1.73A21.27
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN E 422
VAL E 512
VAL E 433
LEU E 425
PRO E 463
1.76A21.27
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 214
VAL A 296
VAL A 297
LEU A 253
THR A 257
1.80A22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.66A22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLN A 244
VAL A 247
LEU A 262
THR A 225
THR A 226
1.74A22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN E 422
VAL E 512
VAL E 433
LEU E 425
PRO E 463
1.73A21.59
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN A 422
VAL A 512
VAL A 433
LEU A 425
PRO A 463
1.72A21.59
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 214
VAL A 296
VAL A 297
LEU A 253
THR A 257
1.70A22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.60A22.69
None
PEG  A 405 (-3.2A)
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.58A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASN B 118
VAL A 330
VAL A 341
THR B 124
THR B 123
1.71A20.88
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7btf NSP8
(SARS-CoV-2)		5 / 12
ASN D 105
ASN D 109
VAL D 186
LEU D 128
PRO D 121
1.63A20.88
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASN A 312
VAL A 128
LEU A 247
THR A 248
THR A 246
1.57A14.33
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7btf NSP8
(SARS-CoV-2)		5 / 12
ASN D 105
VAL D 130
VAL D 131
THR D 137
THR D 141
1.73A20.88
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASN B 100
VAL A 330
VAL B 115
THR B 123
THR B 124
1.79A20.88
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.61A22.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASN A 312
VAL A 128
LEU A 247
THR A 248
THR A 246
1.60A13.29
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASN A 705
GLN A 468
VAL A 472
LEU A 630
PRO A 627
1.58A13.29
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASN A 909
HIS A 882
LEU A 869
THR A 870
PRO A 868
1.54A13.29
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASN A 705
VAL A 472
VAL A 476
LEU A 630
PRO A 627
1.48A13.29
None