Ligand ID: CFB


Drugbank ID:
DB00631
(Clofarabine)


Indication:
For the treatment of pediatric patients 1 to 21 years old with relapsed or refractory acute lymphocytic (lymphoblastic) leukemia after at least two prior regimens. It is designated as an orphan drug by the FDA for this use.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CFB' 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.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLU A 254
VAL A 320
ARG A 183
ARG A 285
GLU A 278
1.70A14.95
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 4
ILE A 548
ASP A 833
LEU A 437
ARG A 858
1.73A14.95
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.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU A 143
MET A  84
TYR A  83
ARG A 138
TYR A  72
1.56A19.19
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.
2A7Q_A_CFBA328_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
1.68A19.19
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		7btf NSP12
(SARS-CoV-2)		4 / 4
ILE A 548
ASP A 833
LEU A 437
ARG A 858
1.67A14.95
None