Ligand ID: CL9


Drugbank ID:
DB00242
(Cladribine)


Indication:
For the treatment of active hairy cell leukemia (leukemic reticuloendotheliosis) as defined by clinically significant anemia, neutropenia, thrombocytopenia, or disease-related symptoms. Also used as an alternative agent for the treatment of chronic lymphocytic leukemia (CLL), low-grade non-Hodgkin's lymphoma, and cutaneous T-cell lymphoma.

Get human targets for CL9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CL9' 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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ASP A 229
PHE A 230
LEU A 262
1.58A20.07
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ASP A 229
PHE A 230
LEU A 262
1.62A20.31
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
VAL A 700
LEU A 749
TYR A 748
PHE A 741
TYR A 719
1.75A15.32
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ASP A 164
PHE A 793
LEU A 786
1.40A15.44
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ILE A 450
VAL B 131
LEU A 388
TYR A 674
TYR A 453
1.57A15.32
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ASP A 477
PHE A 480
LEU A 575
1.51A15.44
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.
2ZIA_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 4
VAL A 405
ASP B 163
LEU B 180
ARG A 392
1.72A15.32
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.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
MET B 731
GLN B 954
ARG C1019
ARG B1019
GLU B 773
1.60A11.70
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.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
MET A 731
GLN A 954
ARG B1019
ARG A1019
GLU A 773
1.35A12.74
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASP A 138
PHE A 140
LEU A 241
1.40A12.74
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.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
MET C 731
GLN C 954
ARG A1019
ARG C1019
GLU C 773
1.55A12.74
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASP A 138
PHE A 140
LEU A 241
1.47A12.74
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.
2ZIA_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
VAL B  42
ASP B 979
LEU B 966
ARG B  44
1.70A12.74
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU C 143
LEU C  87
TYR C  83
ARG C 138
TYR C  71
1.70A19.47
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU C 143
LEU C  87
MET C  84
TYR C  83
TYR C  72
1.57A19.47
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		6 / 12
GLU C 143
LEU C  87
MET C  84
TYR C  83
ARG C 138
TYR C  72
1.72A19.47
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU A 143
LEU A  87
MET A  84
TYR A  83
TYR A  72
1.58A19.47
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU A 143
LEU A  87
TYR A  83
ARG A 138
TYR A  72
1.53A19.47
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP C  76
PHE C  79
LEU C  80
1.61A19.47
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP B  76
PHE B  79
LEU B  80
1.51A19.47
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP A  76
PHE A  79
LEU A  80
1.55A19.47
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU A 143
LEU A  87
MET A  84
TYR A  83
TYR A  72
1.57A19.47
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.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU C 143
MET C  84
TYR C  83
ARG C 138
TYR C  72
1.62A19.47
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ASP A 216
PHE A 219
LEU A 271
1.71A20.31
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ASP A 229
PHE A 230
LEU A 262
1.59A20.44
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
ASP D 157
PHE D 156
LEU C  88
1.66A22.37
None
EDO  D 204 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
ASP A  22
PHE B 168
LEU B 164
1.59A22.37
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		7btf NSP12
(SARS-CoV-2)		3 / 3
ASP A 164
PHE A 793
LEU A 786
1.38A15.44
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ILE A 450
VAL B 131
LEU A 388
TYR A 674
TYR A 453
1.46A15.32
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
VAL A 700
LEU A 749
TYR A 748
PHE A 741
TYR A 719
1.79A15.32
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ASP A 164
PHE A 793
LEU A 786
1.42A15.54
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
VAL A 700
LEU A 749
TYR A 748
PHE A 741
TYR A 719
1.78A15.42
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ILE A 450
VAL B 131
LEU A 388
TYR A 674
TYR A 453
1.53A15.42
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
VAL A 700
LEU A 749
TYR A 748
PHE A 741
TYR A 719
1.75A15.42
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ASP A  36
PHE A  45
LEU A 708
1.47A15.54
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ILE A 450
VAL B 131
LEU A 388
TYR A 674
TYR A 453
1.45A15.42
None