Ligand ID: MC9


Drugbank ID:
DB02300
(Calcipotriol)


Indication:
For the treatment of moderate plaque psoriasis in adults.

Get human targets for MC9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MC9' 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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		1uk4 3C-LIKE PROTEINASE
5-MER PEPTIDE OF
INHIBITOR
(SARSr-CoV)		5 / 12
LEU H   4
LEU B 141
CYH B 128
LEU B  86
LEU B 177
1.42A2.00
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 271
LEU B 282
SER B   1
LEU B 250
LEU B 253
1.47A22.39
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
LEU C  22
LEU C  40
ILE C  44
LEU G 100
LEU G 108
1.47A21.50
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		2ajf ACE2
(Homo
sapiens)		4 / 5
TYR A  41
SER A  44
HIS A 378
HIS A 401
1.78A16.30
None
None
ZN  A 901 (-3.3A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
LEU C  49
LEU C  55
VAL C  77
ILE C  20
VAL C  95
LEU C  22
1.69A16.67
None
None
None
D10  C1099 ( 4.8A)
D10  C1099 ( 4.8A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
LEU B  49
LEU B  55
VAL B  77
ILE B  20
VAL B  95
LEU B  22
1.72A14.34
None
D10  B1099 ( 4.6A)
D10  B1099 (-4.8A)
None
D10  B1099 ( 4.9A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme -
(-)		6 / 12
LEU G  49
LEU G  55
VAL G  77
ILE G  20
VAL G  95
LEU G  22
1.73A14.07
None
D10  H1099 ( 4.8A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
LEU A  49
LEU A  55
VAL A  77
ILE A  20
VAL A  95
LEU A  22
1.73A14.02
None
D10  B1099 ( 4.2A)
None
None
D10  B1099 ( 4.8A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL S 389
ILE S 405
TRP S 340
VAL S 498
LEU S 412
1.51A20.52
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B 124
LEU B 118
VAL B 117
ILE B 152
LEU B 133
1.25A19.29
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		6 / 12
LEU A  93
LEU A  77
VAL A  78
VAL A  74
LEU A  66
LEU A  66
1.29A19.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 12
LEU A  93
LEU A  77
VAL A  78
VAL A  74
LEU A  66
1.52A19.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 389
ILE C 405
TRP C 340
VAL C 498
LEU C 412
1.48A20.51
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 546
LEU A 537
ILE A 556
TYR A 564
VAL A 574
1.19A19.77
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 546
LEU A 537
ILE A 556
TYR A 564
VAL A 574
1.21A20.38
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU D 297
LEU D 331
VAL D 318
SER D 312
VAL D 303
1.49A20.16
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU D 167
SER F 287
SER D 171
LEU F 254
LEU F 248
1.48A21.21
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2w2g NSP3
(SARSr-CoV)		5 / 12
LEU B 546
LEU B 537
ILE B 556
TYR B 564
VAL B 574
1.28A23.57
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL A 389
ILE A 405
TRP A 340
VAL A 498
LEU A 412
1.47A18.56
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR A  41
SER A  44
HIS A 378
HIS A 401
1.79A16.64
None
None
ZN  A 901 (-3.4A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 450
VAL A 447
VAL A 485
LEU A 262
LEU A 267
1.47A16.64
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3e9s NSP3
(SARSr-CoV)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.28A18.85
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU C  45
LEU C  42
VAL C 102
SER C  35
LEU C 112
1.40A16.67
GOL  C 123 ( 4.8A)
None
None
None
GOL  C 125 (-4.0A)
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TYR B  54
ARG B  40
HIS B 172
HIS B 163
1.79A22.91
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3i6g HLA, A-2
(Homo
sapiens)		4 / 5
TYR A 113
SER A   4
ARG A   6
HIS A 263
1.29A22.97
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 12
LEU F  40
VAL F  37
ILE F  35
SER F  28
VAL F  93
1.52A19.23
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3i6l HLA, A-24
(Homo
sapiens)		4 / 5
TYR D 113
SER D   4
ARG D   6
HIS D 263
1.15A22.90
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 389
ILE E 405
TRP E 340
VAL E 498
LEU E 412
1.50A21.35
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 389
ILE F 405
TRP F 340
VAL F 498
LEU F 412
1.50A20.15
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 389
ILE F 405
TRP F 340
VAL F 498
LEU F 412
1.53A19.92
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR A  41
SER A  44
HIS A 378
HIS A 401
1.78A16.64
None
None
ZN  A 901 (-3.5A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.28A20.18
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.32A19.29
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
LEU A 245
VAL A 116
ILE A 152
SER A 145
LEU A 133
1.52A20.96
None
None
None
PO4  A 402 (-4.7A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.35A20.00
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU B 329
VAL B 381
CYH B 340
VAL B 398
LEU B 442
1.53A19.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 124
LEU D 118
VAL D 117
ILE D 152
LEU D 133
1.16A19.11
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
LEU C 980
ILE C 955
SER C 859
LEU C1005
LEU C 871
1.41A11.28
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6acj ACE2
(Homo
sapiens)		5 / 12
LEU D 450
VAL D 447
VAL D 485
LEU D 262
LEU D 267
1.43A16.30
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		6ack ACE2
(Homo
sapiens)		4 / 5
TYR D  41
SER D  44
HIS D 378
HIS D 401
1.56A16.30
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 913
SER B 703
VAL B1043
LEU B 804
LEU B 920
1.52A13.33
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 286
LEU B 597
VAL B 596
ILE B 637
LEU B 615
1.52A13.32
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 424
LEU C 229
VAL C 233
ILE C 236
LEU C 415
1.45A16.98
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 212
LEU A 131
VAL A 128
TYR A 175
LEU A 186
1.51A14.54
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 390
LEU E 513
VAL E 395
ILE E 358
LEU E 335
1.46A21.55
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vw1 ACE2
(Homo
sapiens)		5 / 12
LEU A 450
VAL A 447
VAL A 485
LEU A 262
LEU A 267
1.48A16.30
None