Ligand ID: 08D


Drugbank ID:
DB01015
(Sulfamethoxazole)


Indication:
For the treatment bacterial infections causing bronchitis, prostatitis and urinary tract infections.

Get human targets for 08D in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '08D' 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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
THR C 174
PRO C  65
GLY B 243
SER B 288
1.46A20.98
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
THR A  82
PRO A  80
GLY A  77
PHE A 103
1.47A20.65
None
SAH  A1293 (-3.8A)
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
THR A  82
PRO A  80
GLY A  73
PHE A 103
1.46A21.02
None
SAH  A1300 (-3.5A)
SAH  A1300 (-4.1A)
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 8
THR B 100
ARG B 100
PRO B  98
GLY A 490
1.39A23.13
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR F 487
ARG F 426
PRO F 493
GLY F 482
1.45A20.22
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
THR B 453
PRO B 451
PHE B 452
LYS B 481
1.36A18.91
None
None
None
CL  B 902 ( 4.3A)
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
THR A 196
ARG A 131
GLY A 183
PHE A 185
1.37A22.12
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR E 487
ARG E 426
PRO E 493
GLY E 482
1.47A19.46
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
THR A 453
PRO A 451
PHE A 452
LYS A 481
1.38A18.91
None
None
None
CL  A 902 ( 4.5A)
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR F 487
ARG F 426
PRO F 493
GLY F 482
1.38A19.30
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR F 487
ARG F 426
PRO F 493
GLY F 482
1.44A19.30
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
PHE A 164
ARG A 163
PHE A 228
SER A 106
1.29A20.00
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PHE A 238
THR A  71
PHE A  76
SER A 239
1.47A19.56
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		5x59 S PROTEIN
(MERS-CoV)		4 / 8
ARG B 614
GLY B 601
PHE B 617
SER B 371
1.23A12.31
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
THR A 988
GLY B 739
PHE B 741
SER A 949
1.06A12.41
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR A 988
GLY C 739
PHE C 741
SER A 949
1.19A13.41
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PHE B 837
THR A 559
GLY A 536
PHE A 527
1.38A12.95
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6lzg ACE2
(Homo
sapiens)		4 / 8
THR A 453
PRO A 451
PHE A 452
LYS A 481
1.35A18.92
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6m0j ACE2
(Homo
sapiens)		4 / 8
THR A 453
PRO A 451
PHE A 452
LYS A 481
1.38A18.92
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6m18 ACE2
(Homo
sapiens)		4 / 8
THR B 453
PRO B 451
PHE B 452
LYS B 481
1.42A16.67
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
THR C 121
GLY C 284
PHE C 283
SER C 100
1.47A18.27
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR A 302
ARG C 747
GLY A 580
SER C 717
1.48A12.62
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
PHE H 166
GLY H 139
PHE L 118
SER H 180
1.62A19.16
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE B 170
GLY B 143
PHE C 124
SER B 184
1.60A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE H 170
THR L 184
GLY H 143
SER H 184
1.78A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE B 170
THR C 184
GLY B 143
SER B 184
1.77A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE H 170
GLY H 143
PHE L 124
SER H 184
1.61A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
ARG C  60
PRO C  65
GLY H  26
LYS C  51
1.25A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
ARG L  60
PRO L  65
GLY B  26
LYS L  51
1.24A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE H 170
GLY H 143
PHE L 124
SER H 184
1.65A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
PHE B 170
GLY B 143
PHE C 124
SER B 184
1.61A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
PHE H 170
THR L 184
GLY H 143
SER H 184
1.78A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
PHE H 170
GLY H 143
PHE L 124
SER H 184
1.61A
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
PHE B 170
THR C 184
GLY B 143
SER B 184
1.79A
None