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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


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		 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_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.78A16.43
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG C 285
GLU C 264
SER C 116
VAL C 166
TYR C 265
1.62A17.31
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG C 285
GLU C 264
SER C 116
VAL C 166
TYR C 265
1.62A17.31
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.71A16.43
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ARG B 298
PHE B 291
SER B 113
VAL B 114
ASN B 151
1.76A16.62
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
ARG B 298
PHE B 291
SER B 113
VAL B 114
ASN B 151
1.66A15.90
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.67A16.14
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)		2z9l 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.60A16.43
DMS  A 605 (-4.0A)
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.77A16.43
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.76A16.43
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.79A16.11
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
PHE B 291
SER B 113
VAL B 114
ASN B 151
1.65A16.00
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		3e9s NSP3
(SARSr-CoV)		5 / 12
ARG A 285
GLU A 264
SER A 116
VAL A 166
TYR A 265
1.76A17.54
None
None
OCS  A 112 ( 3.7A)
None
TTT  A 317 (-4.1A)
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.67A15.81
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)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
PHE B 291
SER B 113
VAL B 114
ASN B 151
1.54A16.05
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)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.75A16.20
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
PHE B 291
SER B 113
VAL B 114
ASN B 151
1.72A16.29
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.69A15.62
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.77A18.15
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.75A16.33
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 139
GLU B 135
TYR B  84
VAL B  12
ASN B  14
1.80A17.43
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU D 239
TYR D 214
TYR D 311
VAL D 236
VAL D 185
1.71A17.31
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.
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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG D 139
GLU D 135
TYR D  84
VAL D  12
TYR D  72
1.59A17.31
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG D 139
GLU D 135
TYR D  84
VAL D  12
TYR D  72
1.63A17.31
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ARG C1057
PHE C 814
SER B 607
VAL B 375
ASN B 436
1.79A21.20
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C 183
GLU C  93
VAL C 140
ASN C  96
VAL C 172
1.80A21.34
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 183
GLU B  93
VAL B 140
ASN B  96
VAL B 172
1.73A21.26
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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 183
GLU B  93
VAL B 140
ASN B  96
VAL B 172
1.71A21.26
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)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLU C 553
PHE C 546
VAL C 589
TYR C 488
VAL C 586
1.69A20.78
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)		6nur NSP12
(SARSr-CoV)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.47A20.52
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.
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