Ligand ID: YY3


Drugbank ID:
DB09330
(Osimertinib)


Indication:
Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy.

Get human targets for YY3 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'YY3' 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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
LEU B 106
GLY B 104
VAL B 102
ALA B  43
LEU B  45
1.48A18.07
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 8
LEU A 106
GLY A 104
VAL A 102
ALA A  43
LEU A  45
1.37A18.90
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU A 177
GLY A 179
LEU A  32
GLY A  29
CYH A  38
1.53A21.41
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU A 177
GLY A 179
LEU A  30
GLY A 146
CYH A 145
1.53A21.61
None
None
None
None
ENB  A 307 (-1.8A)
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY C 326
VAL C 328
ALA C 384
LEU C 499
CYH C 348
1.36A20.30
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 8
LEU B 112
GLY B  10
VAL B 113
ALA B  92
GLY B 110
1.15A19.94
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 8
LEU A 122
GLY A 140
VAL A 121
ALA A  81
GLY A 125
1.40A24.08
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2hsx LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 8
LEU A  96
VAL A  58
ALA A  31
LEU A  35
GLY A  41
1.45A17.58
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2kqv NSP3
(SARSr-CoV)		5 / 8
GLY A  50
VAL A  52
LEU A  24
MET A  25
CYH A  28
1.54A21.60
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 8
LEU C 122
GLY C 140
VAL C 121
ALA C  81
GLY C 125
1.43A24.02
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
LEU A 177
GLY A 179
LEU A  32
GLY A  29
CYH A  38
1.57A22.44
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 8
LEU E 122
GLY E 140
VAL E 121
ALA E  81
GLY E 125
1.42A24.02
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2w2g NSP3
(SARSr-CoV)		5 / 8
LEU B 471
GLY B 466
ALA B 474
LEU B 475
GLY B 489
1.50A20.00
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY E 326
VAL E 328
ALA E 384
LEU E 499
CYH E 348
1.21A18.52
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY F 326
VAL F 328
ALA F 384
LEU F 499
CYH F 348
1.23A18.58
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY F 326
VAL F 328
ALA F 384
LEU F 499
CYH F 348
1.20A18.58
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU B 167
GLY B 170
VAL B 171
ALA B 173
GLY B 195
1.56A21.13
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU A 177
GLY A 179
LEU A  32
GLY A  29
CYH A  38
1.57A21.29
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU B 167
GLY B 170
VAL B 171
ALA B 173
GLY B 195
1.51A21.41
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY E 326
VAL E 328
ALA E 384
LEU E 499
CYH E 348
1.30A17.88
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU A 177
GLY A 179
LEU A  30
GLY A 146
CYH A 145
1.50A21.69
None
None
None
None
3X5  A 401 (-2.5A)
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU B 177
GLY B 179
LEU B  32
GLY B  29
CYH B  38
1.57A21.15
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		6 / 8
LEU D 105
GLY D 123
VAL D 136
ALA D 138
GLY D 102
CYH D  11
1.59A20.61
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		6 / 8
LEU D 105
GLY D 123
VAL D 136
ALA D 138
GLY D 102
CYH D  11
1.55A20.38
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		6 / 8
LEU D 105
GLY D 123
VAL D 136
ALA D 138
GLY D 102
CYH D  11
1.59A20.75
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 8
GLY C 326
VAL C 328
ALA C 384
LEU C 499
CYH C 348
1.18A13.76
NAG  C1307 ( 3.7A)
None
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
LEU B1016
GLY B1017
VAL C1022
ALA B 872
GLY B 867
1.53A14.13
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
LEU B 927
GLY B 928
VAL B 808
LEU B 804
GLY B1041
1.47A14.50
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 8
LEU H   4
GLY H 118
VAL H   5
ALA H  23
GLY H  26
1.27A20.18
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6nur NSP12
(SARSr-CoV)		5 / 8
LEU A 351
GLY A 352
VAL A 354
ALA A 656
CYH A 301
1.39A14.88
None
None
None
None
ZN  A1001 (-1.9A)
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
GLY H 104
VAL H   5
GLY H  26
1.66A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
VAL L 150
ALA L 153
LEU L 154
GLY L 157
1.46A16.51
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 138
GLY H 139
VAL H 182
LEU H 189
1.50A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 138
GLY H 139
ALA H 136
LEU H 189
1.48A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
GLY H  94
VAL H 102
GLY H  26
1.47A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
VAL H 102
ALA H  93
GLY H 106
1.57A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
GLY H  24
MET H 100
GLY H  95
1.54A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
GLY H  24
ALA H  78
GLY H  95
1.61A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
GLY H 162
VAL H 184
ALA H 136
GLY H 139
1.46A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
GLY H 104
VAL H 102
GLY H  35
1.51A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 159
GLY H 157
LEU H 138
GLY H 162
1.48A18.98
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 138
GLY H 139
VAL H 211
LEU H 189
1.41A18.98
None