Ligand ID: 4MK


Drugbank ID:
DB09063
(Ceritinib)


Indication:
Ceritinib 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. An improvement in survival or disease-related symptoms has not been established. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials.

Get human targets for 4MK in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '4MK' 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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.22A13.90
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  27
GLY A  23
VAL A  42
LEU A  89
GLY A 120
1.26A20.80
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		6 / 12
LEU G  64
ALA G  68
LEU D  33
ASP D  43
SER G  13
LEU D  40
1.76A22.09
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  27
GLY A  23
VAL A  42
LEU A  89
GLY A 120
1.26A20.80
ENB  A 307 (-3.5A)
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL A 328
LEU A 355
SER A 380
LEU A 499
ASP A 385
1.30A20.00
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
LEU A  27
GLY A  23
VAL A  42
LEU A  89
GLY A 120
1.32A20.31
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2wct NSP3
(SARSr-CoV)		5 / 12
LEU B 514
VAL B 513
LEU B 412
LEU B 411
ASP B 424
1.30A21.51
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A 148
GLY A 113
SER A  98
LEU A 100
ASP A 133
1.18A22.22
None
None
None
SAH  A1293 (-4.3A)
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A 148
GLY A 113
SER A  98
LEU A 100
ASP A 133
1.18A22.22
None
None
None
SAH  A1300 (-4.4A)
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LYS B 441
LEU B 281
GLY B 268
ASP B 269
ASP B 367
1.23A19.87
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.26A14.17
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A 148
GLY A 113
SER A  98
LEU A 100
ASP A 133
1.21A21.30
None
None
None
SAM  A 302 (-4.4A)
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 447
ALA B 443
LEU B 444
LEU B 439
LEU B 595
1.34A19.87
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  27
GLY B  23
VAL B  42
LEU B  89
GLY B 120
1.32A20.74
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY B 413
VAL B 282
ALA B 281
LEU B 280
GLY B  88
1.34A20.34
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLY A 413
VAL A 282
ALA A 281
LEU A 280
GLY A  88
1.33A20.92
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA D 150
LEU D 153
LEU D 151
GLY D  82
ASP D  38
1.28A21.54
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 182
GLY A 212
ALA A  90
GLY A 199
LEU A 216
1.32A21.02
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY B1041
VAL B 708
ALA B 926
LEU B 927
SER B 798
1.25A15.24
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
VAL B1082
LEU B1075
LEU B1040
GLY B 931
ASP B 805
1.23A14.62
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
LEU A 920
ALA a  28
LYS a  24
LEU a  32
SER C 919
1.27A11.60
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 182
GLY A 212
ALA A  90
GLY A 199
LEU A 216
1.19A14.58
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 182
GLY B 212
ALA B  90
GLY B 199
LEU B 216
1.31A14.73
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY B 512
ALA B 371
LEU B 355
GLY B 418
LEU B 499
1.12A14.82
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU A  83
VAL A  60
LEU A  43
GLY A  91
LEU A  14
1.35A21.57
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6m0j ACE2
(Homo
sapiens)		5 / 12
VAL A 447
ALA A 443
LEU A 444
LEU A 439
LEU A 595
1.29A19.87
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6m1d ACE2
(Homo
sapiens)		6 / 12
LEU B 392
ALA B  99
LEU B 100
LEU B  95
ASP B  30
LEU B  29
1.63A17.33
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		6vw1 ACE2
(Homo
sapiens)		5 / 12
VAL B 447
ALA B 443
LEU B 444
LEU B 439
LEU B 595
1.36A19.87
None