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-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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.56A22.85
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.41A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.47A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 12
ASN G 110
ASN G 114
VAL G 135
VAL G 191
LEU G 133
1.43A22.52
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.55A23.01
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN L 186
VAL L 156
LEU L 133
THR L 132
PRO L 121
1.36A22.54
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
ASN A  69
HIS A  70
VAL A  74
LEU A  66
THR A  68
1.36A24.76
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.55A23.21
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.54A23.30
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.46A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.37A23.01
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.56A23.33
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)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.54A23.46
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.52A23.10
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.53A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
ASN H 157
VAL H 183
THR H 186
THR H 189
PRO H 191
1.27A26.77
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)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.54A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.55A23.38
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.55A23.30
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.49A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.51A23.01
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN B 231
HIS B 246
VAL B 261
LEU B 205
THR B 201
1.56A23.32
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.53A23.31
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		5f22 NSP8
(SARSr-CoV)		5 / 12
ASN B 110
ASN B 114
VAL B 135
VAL B 191
THR B 153
1.49A21.57
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN C 304
GLN C 301
LEU A 843
THR A 716
THR A 841
1.43A12.16
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6nus NSP12
(SARSr-CoV)		5 / 12
ASN A 910
HIS A 882
LEU A 869
THR A 870
PRO A 868
1.44A13.57
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
ASN H 155
VAL H 184
LEU H 189
THR H 191
PRO H 213
1.61A19.62
None
Potential target for repurposing, i.e. matched protein structure has less than 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 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ASN H 159
VAL H 188
LEU H 193
THR H 195
PRO H 217
1.72A20.65
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ASN H 159
VAL H 188
LEU H 193
THR H 195
PRO H 217
1.69A20.65
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ASN H 159
VAL H 188
LEU H 193
THR H 195
PRO H 217
1.72A20.65
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ASN B 159
VAL B 188
LEU B 193
THR B 195
PRO B 217
1.73A20.65
None