Ligand ID: RXT


Drugbank ID:
DB08877
(Ruxolitinib)


Indication:
Treatment of intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera (post-PV) myelofibrosis and post-essential thrombocythemia (post-ET) myelofibrosis. [Lexicomp] Myeolofibrosis is the proliferation of abnormal bone marrow stem cells which cause fibrosis (the excessive formation of connective tissue).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RXT' 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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU B   9
ALA B  43
TYR B  31
GLY B 104
LEU B 103
1.70A18.53
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		2ajf ACE2
(Homo
sapiens)		5 / 9
LEU B 267
ALA B 264
MET B 270
GLY B 268
ASP B 157
1.73A19.06
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		2ajf ACE2
(Homo
sapiens)		5 / 11
LEU A 266
GLY A 486
TYR A 252
GLY A 268
LEU A 278
1.34A19.06
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		2amq 3C-LIKE
PROTEINASE

(SARSr-CoV;
synthetic
construct)		5 / 11
GLY B   2
VAL A 171
ALA A 194
GLY A 174
ALA C   2
1.44A24.06
None
None
None
None
02J  C   1 ( 3.7A)
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
LEU A 111
GLY A 116
GLY A  71
LEU A  66
ALA A  65
1.35A19.52
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA A 350
TYR A 352
GLY A 418
LEU A 499
ALA A 384
1.47A21.43
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 11
GLY B   2
VAL A 171
ALA A 194
GLY A 174
ALA C   3
1.46A23.39
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
LEU B 100
GLY B 104
TYR C  91
GLY B  96
ALA B  50
1.40A18.84
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
LEU B 266
GLY B 486
TYR B 252
GLY B 268
LEU B 278
1.35A19.33
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
LEU B 267
ALA B 264
MET B 270
GLY B 268
ASP B 157
1.69A19.33
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3iwm 3C-LIKE
PROTEINASE

(SARSr-CoV;
synthetic
construct)		5 / 11
GLY D 174
ALA E   2
GLY D 170
ASN D 133
ALA D 194
1.35A23.77
None
02J  E   1 ( 3.7A)
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
LEU B 212
VAL B 301
ALA B 250
GLY B 210
ASP B 165
1.74A22.12
None
None
None
GRM  A 801 (-3.1A)
GRM  B 801 (-3.8A)
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
LEU B 266
GLY B 486
TYR B 252
GLY B 268
LEU B 278
1.33A19.54
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
LEU B 267
ALA B 264
MET B 270
GLY B 268
ASP B 157
1.70A19.54
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
ALA B 119
GLY B 123
ASN B 137
LEU B 105
ALA B 138
1.29A18.42
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
ALA B 119
GLY B 123
ASN B 137
LEU B 105
ALA B 138
1.36A18.42
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
ALA A 119
GLY A 123
ASN A 137
LEU A 105
ALA A 138
1.27A19.37
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU D 212
VAL D 301
ALA D 250
GLY D 210
ASP D 165
1.69A21.68
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
LEU A 597
GLY A 634
LEU A 615
ALA A 609
ASP A 605
1.35A11.53
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
LEU A 894
ALA A1130
TYR A1135
ASN A1027
ALA A1025
1.32A11.93
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU A 235
ALA A 233
TYR A 252
GLY A  77
ASP A 134
1.55A13.09
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU B 182
GLY B 212
ALA B  90
GLY B 199
LEU B 216
1.45A13.09
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6acj ACE2
(Homo
sapiens)		5 / 11
LEU D 266
GLY D 486
TYR D 252
GLY D 268
LEU D 278
1.31A19.27
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6ack ACE2
(Homo
sapiens)		5 / 9
LEU D 262
VAL D 487
LYS D 481
GLY D 268
ASP D 499
1.66A19.27
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU A 377
VAL A 510
ALA A 350
GLY A 418
LEU A 499
1.34A11.53
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.12A11.53
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6jyt HELICASE
(SARSr-CoV)		5 / 9
LEU B  83
VAL B  60
TYR B  70
GLY B  91
LEU B  14
1.53A18.24
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6jyt HELICASE
(SARSr-CoV)		5 / 11
LEU A 280
VAL A 397
ALA A 292
GLY A 400
ALA A 308
1.38A18.24
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
GLY A  51
VAL A 317
TYR A 322
LEU A 398
ALA A 399
1.42A18.11
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6m1d ACE2
(Homo
sapiens)		5 / 9
LEU B 267
ALA B 264
MET B 270
GLY B 268
ASP B 157
1.64A16.21
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6m1d ACE2
(Homo
sapiens)		5 / 11
LEU D 266
GLY D 486
TYR D 252
GLY D 268
LEU D 278
1.34A16.21
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU B 963
ALA B 971
ASN B 951
LEU B 978
ALA B 954
1.38A11.08
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 11
VAL H 225
ALA H 139
GLY H 204
LEU H 203
ALA H 150
1.23A22.97
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 11
VAL H 211
ALA H 125
GLY H 190
LEU H 189
ALA H 136
1.54A21.95
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
GLY H 101
ALA H  79
GLY H  24
LEU H   4
ALA H  97
1.53A
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
GLY B 101
ALA B  79
GLY B  24
LEU B   4
ALA B  97
1.52A
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 11
GLY H 101
ALA H  79
GLY H  24
LEU H   4
ALA H  97
1.54A
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 11
GLY H 101
ALA H  79
GLY H  24
LEU H   4
ALA H  97
1.54A
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 11
GLY B 101
ALA B  79
GLY B  24
LEU B   4
ALA B  97
1.53A
None