Ligand ID: BJM


Drugbank ID:
DB06335
(Saxagliptin)


Indication:
Treatment of type 2 diabetes mellitus to improve glycemic control in combination with other agents or as monotherapy.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BJM' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.78A11.89
DMS  A 402 (-3.7A)
None
DMS  A 402 ( 4.7A)
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.78A16.14
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.78A16.14
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
PHE D 291
SER D 113
VAL D 114
ASN D 151
1.76A16.14
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.57A16.14
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.18A20.10
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.70A16.14
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6y2e REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.56A16.14
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.77A16.14
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.77A11.89
DMS  A 403 (-3.9A)
None
DMS  A 403 ( 4.9A)
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.45A20.10
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.12A20.16
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.19A20.16
None
None
None
U  T  10 ( 4.6A)
None