Ligand ID: AR3


Drugbank ID:
DB00987
(Cytarabine)


Indication:
For the treatment of acute non-lymphocytic leukemia, acute lymphocytic leukemia and blast phase of chronic myelocytic leukemia.

Get human targets for AR3 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AR3' 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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ALA A 940
GLN A 936
GLN F1161
ASP F1165
1.52A19.39
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 6
ALA C 212
GLN C 187
GLN D 289
ASP D 287
1.10A23.32
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 6
ALA C 306
GLN C 307
GLN C 346
ASP C 349
1.76A17.50
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE D 280
GLU D 266
LEU D 200
MET D 251
ASP D 267
1.65A22.31
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE F 252
VAL F 294
ARG F 198
ASP F 199
PHE F 203
1.78A22.43
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  68
VAL A 169
LEU A 153
TYR A 152
ASP A  99
1.70A24.07
None
None
None
None
SAH  A1293 (-2.7A)
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  68
VAL A 169
LEU A 153
TYR A 152
ASP A  99
1.68A24.07
None
None
None
None
SFG  A1298 (-2.6A)
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  68
VAL A 169
LEU A 153
TYR A 152
ASP A  99
1.72A20.63
None
None
None
None
SAM  A 302 (-2.6A)
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
VAL A 583
LEU A 597
TYR A 622
ASP A 600
PHE A 305
1.65A11.24
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
ALA A 633
GLN A 632
LYS B 831
GLN A 630
1.59A10.75
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 6
ALA B 432
GLN C1056
GLN C1063
ASP C1064
1.79A8.94
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE C 650
VAL C 594
LEU C 286
TYR C 300
GLN C 301
1.74A12.85
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ALA A 633
GLN A 632
LYS C 832
ASP A 605
1.27A10.57
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 115
GLU A 162
LEU A 224
GLN A 112
PHE A 130
1.67A12.55
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ILE B 565
VAL B 456
LEU B 455
GLN B 586
ASP B 450
1.51A18.05
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		6jyt HELICASE
(SARSr-CoV)		4 / 6
ALA B 403
GLN B 404
GLN B 537
ASP B 534
1.79A15.94
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m17 ACE2
(Homo
sapiens)		4 / 6
ALA B 650
GLN B 653
LYS B 657
ASP D 637
1.59A13.04
None