Ligand ID: EMH


Drugbank ID:
DB11363
(Alectinib)


Indication:
Alectinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive, metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'EMH' 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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.21A14.53
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		1x7q HLA, A-11
(Homo
sapiens)		4 / 4
VAL A 165
LEU A 168
LEU A 172
ASP A  29
1.26A21.73
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		5 / 12
LEU A 141
GLY A 138
ALA A 116
GLY A 149
ALA A   7
1.23A20.79
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  86
VAL A  20
LEU A  89
GLY A 146
LEU A  27
1.46A20.34
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 4
VAL F 351
LEU F 354
LEU F 353
ASP F 289
1.75A17.09
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ARG G 294
GLY G 296
VAL G 271
GLY G 288
HIS G 357
1.15A17.09
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.29A22.58
None
None
BR  A 319 (-4.2A)
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
LEU B 112
GLY B  10
VAL B 113
ALA B  92
GLY B 110
1.14A19.29
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A 648
ALA A 621
VAL A 635
LEU A 617
GLY A 527
1.48A15.90
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A 648
ALA A 621
VAL A 635
LEU A 617
GLY A 527
1.48A19.43
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 10
VAL A  20
LEU A  89
LEU A  30
GLY A 146
LEU A  27
1.40A20.34
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 10
LEU A  86
VAL A  20
LEU A  89
GLY A 146
LEU A  27
1.45A20.67
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU E 200
ALA E 255
VAL E 294
TYR E 278
LEU E 265
1.27A22.25
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 4
VAL A  84
LEU A  85
LEU A  95
ASP A  97
1.54A21.01
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 4
VAL A  84
LEU A  85
LEU A  95
ASP A  97
1.52A21.11
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		3bgf F26G19 FAB
(Mus
musculus)		6 / 12
LEU B  82
GLY B  15
VAL B 109
TYR B  90
LEU B  82
ALA B 114
1.58A20.32
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ARG A 559
LEU A 560
ALA A 569
VAL A 209
LEU A 568
1.41A18.44
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 4
VAL A 185
LEU A 186
LEU A 116
ASP A 509
1.56A20.17
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		3e9s NSP3
(SARSr-CoV)		5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.33A22.16
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
LEU C  94
ALA C  43
LEU C  45
GLY C 100
LEU C 103
1.35A14.83
None
None
GOL  C 123 ( 4.8A)
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
VAL B  20
LEU B  89
LEU B  30
GLY B 146
LEU B  27
1.48A20.22
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		3i6g HLA, A-2
(Homo
sapiens)		4 / 4
VAL D 165
LEU D 168
LEU D 172
ASP D  29
1.25A21.84
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		3i6l HLA, A-24
(Homo
sapiens)		4 / 4
VAL D 165
LEU D 168
LEU D 172
ASP D  29
1.25A21.01
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.29A22.22
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 4
VAL A  84
LEU A  85
LEU A  95
ASP A  97
1.55A19.90
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ARG A 559
LEU A 560
ALA A 569
VAL A 209
LEU A 568
1.43A18.44
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.30A22.77
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		5c8s NSP10
(SARSr-CoV)		5 / 12
ARG A  78
LEU A  14
ALA A  18
PHE A  19
TYR A  27
1.29A17.20
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ARG D 139
ALA D 150
VAL D 160
LEU D 153
LEU D  88
1.40A22.63
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ARG O  78
LEU O  14
ALA O  18
PHE O  19
TYR O  27
1.21A14.63
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		5tl6 UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens)		5 / 10
LEU A 135
VAL A 148
LEU A 124
GLY A 138
LEU A 142
1.32A12.61
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ARG B 139
ALA B 150
VAL B 160
LEU B 153
LEU B  88
1.26A22.49
SO4  B 402 (-2.8A)
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
ALA A 926
VAL A 808
LEU A 927
LEU A 804
GLY A1041
1.28A14.59
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 4
VAL B 537
LEU B 538
LEU B 519
ASP B 518
1.42A15.09
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU C 355
VAL C 354
GLY C 326
VAL C 328
LEU C 421
1.29A15.09
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 927
GLY C 928
ALA C1038
LEU C 920
ALA C1007
1.20A15.61
LEU  C 927 ( 0.6A)
GLY  C 928 ( 0.0A)
ALA  C1038 ( 0.0A)
LEU  C 920 ( 0.6A)
ALA  C1007 ( 0.0A)
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.38A22.22
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LEU A 182
ALA A  90
VAL A 186
GLY A 199
LEU A 216
1.36A15.33
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6acj ACE2
(Homo
sapiens)		5 / 12
LEU D 267
GLY D 268
ALA D 264
VAL D 485
TYR D 237
1.34A19.83
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 927
GLY C 928
ALA C1038
LEU C 920
ALA C1007
1.21A15.35
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 927
GLY A 928
ALA A1038
LEU A 920
ALA A1007
1.16A14.67
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
VAL C 537
LEU C 538
LEU C 519
ASP C 518
1.63A14.67
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
LEU C 182
ALA C  90
VAL C 186
GLY C 199
LEU C 216
1.36A14.38
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 927
GLY B 928
ALA B1038
LEU B 920
ALA B1007
0.99A14.92
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
VAL B 537
LEU B 538
LEU B 571
ASP B 564
1.45A14.92
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 4
VAL A 165
LEU A 168
LEU A 172
ASP A  29
1.26A22.75
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		6jyt HELICASE
(SARSr)		5 / 10
ALA B 292
VAL B 397
LEU B 295
GLY B 282
LEU B 280
1.22A19.87
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 427
GLY C 428
PHE C 421
VAL C 317
ALA C 399
1.30A18.69
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6m18 ACE2
(Homo
sapiens)		6 / 12
LEU B 320
VAL B 318
VAL B 404
TYR B 381
LEU B 558
ALA B 412
1.80A18.15
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		6m18 ACE2
(Homo
sapiens)		5 / 10
ARG D 559
LEU D 560
ALA D 569
VAL D 209
LEU D 568
1.47A17.24
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6m18 ACE2
(Homo
sapiens)		4 / 4
VAL B 185
LEU B 186
LEU B 116
ASP B 509
1.68A18.15
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
VAL B 537
LEU B 538
LEU B 571
ASP B 564
1.54A14.67
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 927
GLY C 928
ALA C1038
LEU C 920
ALA C1007
1.25A14.67
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6nur NSP12
(SARSr-CoV)		5 / 12
VAL A 342
ALA A 379
GLY A 345
HIS A 355
TYR A 273
1.29A17.62
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6nur NSP7
NSP8
(SARSr-CoV)		4 / 4
VAL D 115
LEU C  60
LEU C  59
ASP C  67
1.48A17.60
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		6nus NSP12
(SARSr-CoV)		5 / 10
LEU A 186
ALA A 250
VAL A 320
LEU A 245
LEU A 282
1.30A16.65
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6vw1 ACE2
(Homo
sapiens)		4 / 4
VAL A 185
LEU A 186
LEU A 116
ASP A 509
1.71A19.83
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
LEU H  82
GLY H  15
VAL H 109
TYR H  90
ALA H 114
1.68A17.99
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
LEU H 138
GLY H 139
VAL H 182
LEU H 189
ALA H 158
1.78A17.99
None