Ligand ID: NFL


Drugbank ID:
DB04552
(Niflumic Acid)


Indication:
Used in the treatment of rheumatoid arthritis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'NFL' 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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5r7z 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.57A22.19
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.59A18.79
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 6
THR F 941
ARG F1185
LEU D1186
ASP D 936
1.46A19.32
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
ARG A 298
PHE A   3
LEU A 282
ASP A 295
1.78A22.19
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
ARG C 298
PHE C   3
LEU C 282
ASP C 295
1.75A22.19
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6m71 NSP12
(SARS-CoV-2)		4 / 6
LEU A 245
THR A 248
LEU A 131
ASP A 465
1.46A15.23
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6m71 NSP12
(SARS-CoV-2)		4 / 6
LEU A 316
THR A 319
PHE A 317
LEU A 282
1.70A15.23
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR A6918
PHE A6868
LEU A6909
ASP A6912
1.72A20.54
FMT  A7108 ( 4.8A)
None
None
SFG  A7103 ( 3.3A)
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
ARG A 298
PHE A   3
LEU A 282
ASP A 295
1.76A22.19
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.
1TD7_A_NFLA2001_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6wq3 NSP10
(SARS-CoV-2)		5 / 9
ILE B4352
TRP B4376
CYH B4294
TYR B4280
PHE B4321
1.80A19.86
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.60A18.79
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.66A23.05
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
ARG A 298
PHE A   3
LEU A 282
ASP A 295
1.76A23.05
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
ARG A 298
PHE A   3
LEU A 282
ASP A 295
1.74A23.05
None
None
None
CL  A 406 (-3.4A)
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.64A23.05
None
None
None
IMD  A 402 ( 2.8A)
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
ARG A 298
PHE A   3
LEU A 282
ASP A 295
1.77A22.19
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.52A22.19
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7btf NSP12
(SARS-CoV-2)		4 / 6
LEU A 316
THR A 319
PHE A 317
LEU A 282
1.74A15.23
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7btf NSP12
(SARS-CoV-2)		4 / 6
LEU A 245
THR A 248
LEU A 131
ASP A 465
1.46A15.23
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7btf NSP12
(SARS-CoV-2)		4 / 6
LEU A 178
THR A 248
LEU A 241
ASP A 126
1.77A15.23
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LEU A 245
THR A 248
LEU A 131
ASP A 465
1.51A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LEU A 316
THR A 319
PHE A 317
LEU A 282
1.79A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 6
LEU A 329
ARG A 331
LEU A 271
ASP B 112
1.46A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LEU A 308
ARG A 305
LEU A 655
ASP A 303
1.79A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LEU A 178
THR A 248
LEU A 241
ASP A 126
1.69A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
LEU A 245
THR A 248
LEU A 131
ASP A 465
1.45A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
LEU A 178
THR A 248
LEU A 241
ASP A 126
1.63A15.44
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
LEU A 316
THR A 319
PHE A 317
LEU A 282
1.69A15.44
None