POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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 through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View 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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
1l1f GLUTAMATE
DEHYDROGENASE 1
(Homo
sapiens)
4 / 6LEU A 145
ILE A  69
GLU A  77
PRO A 137
None
1.22A19.52
3.98
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
2ctf VIGILIN
(Homo
sapiens)
4 / 6LEU A  37
GLU A  65
ASP A  68
PRO A  34
None
1.02A17.05
8.82
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
2dag UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 5
(Homo
sapiens)
4 / 6LEU A  16
ILE A  14
GLU A  10
ASP A   9
None
1.12A14.67
12.16
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
2dit HIV TAT SPECIFIC
FACTOR 1 VARIANT
(Homo
sapiens)
4 / 6LEU A  58
ILE A  20
GLU A  46
ASP A  42
None
1.14A20.61
23.26
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
2f37 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2
(Homo
sapiens)
4 / 6LEU A 167
ILE A 169
GLU A 172
PRO A 212
None
1.21A21.19
7.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
3r3g THROMBIN HEAVY CHAIN
(Homo
sapiens)
4 / 6LEU B  99
ILE B 174
TRP B 215
GLU B 217
None
0.58A97.68
4.88
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 6LEU A 242
ILE A 291
ASP A 320
PRO A 275
None
1.22A20.13
4.28
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
4a4l SERINE/THREONINE-PRO
TEIN KINASE PLK1
(Homo
sapiens)
4 / 6LEU A 314
ILE A 316
GLU A 186
ASP A 187
None
1.19A19.94
7.49
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
4iqh DYSFERLIN
(Homo
sapiens)
4 / 6LEU A  83
GLU A  75
ASP A  23
PRO A  24
None
1.16A21.81
6.15
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
4obs ALPHA-L-IDURONIDASE
(Homo
sapiens)
4 / 6LEU A 476
GLU A 508
ASP A 509
PRO A 510
None
1.21A16.98
2.61
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1
(Homo
sapiens)
4 / 6LEU B 294
ILE B 297
ASP B 274
PRO B 277
None
1.23A22.53
5.83
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)
5ons DENSITY-REGULATED
PROTEIN
MALIGNANT
T-CELL-AMPLIFIED
SEQUENCE 1
(Homo
sapiens)
4 / 6LEU A 170
ILE A 102
GLU B  45
PRO B  40
None
0.99A14.46
23.53