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-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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.52A19.88
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)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 6
LEU B 194
THR B 195
LEU B 354
ASP B 349
1.54A21.36
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_NFLA1300_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		2ajf ACE2
(Homo
sapiens)		5 / 11
TRP B 275
LEU B 440
ASN B 277
TYR B 252
LEU B 248
1.51A19.35
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)		2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU B 205
THR B 201
LEU B 227
ASP B 263
1.54A20.00
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.
1TD7_A_NFLA2001_1
(PHOSPHOLIPASE A2
ISOFORM 3)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 9
ILE P  99
TRP P 123
CYH P  41
TYR P  27
PHE P  68
1.78A21.38
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)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 6
LEU A  66
THR A  68
ARG A 113
ASP A  64
1.30A18.33
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 6
LEU D  79
THR D  78
PHE D  29
ASP D  99
1.54A22.01
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)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		4 / 6
LEU A 205
PHE A 230
LEU A 227
ASP A 263
1.44A17.23
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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 6
LEU B 202
THR B 292
PHE B 294
ASP B 248
1.57A19.63
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)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 6
LEU B 205
THR B 201
LEU B 227
ASP B 263
1.57A19.76
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU B 205
THR B 201
LEU B 227
ASP B 263
1.53A20.00
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.53A20.30
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU D 205
THR D 201
LEU B 227
ASP B 263
1.49A16.72
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)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A 205
THR A 201
LEU A 227
ASP A 263
1.47A20.49
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)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A 202
THR A 292
PHE A 294
ASP A 248
1.54A19.88
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A 202
THR A 292
PHE A 294
ASP A 248
1.54A21.24
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)		5c8u NSP10
(SARSr-CoV)		5 / 9
ILE C  99
TRP C 123
CYH C  41
TYR C  27
PHE C  68
1.78A19.61
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)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU B  76
THR B  75
LEU B  81
ASP B  63
1.50A21.84
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)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU A 532
THR A 533
PHE A 527
ASP A 572
1.58A13.26
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR A 260
PHE A  59
LEU A  58
ASP A  44
1.36A21.02
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)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
THR A 260
PHE A  59
LEU A  58
ASP A  44
1.25A12.87
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)		5x5c S PROTEIN
(MERS-CoV)		4 / 6
LEU B 325
THR B  68
PHE B 354
ASP B 338
1.09A13.19
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR A  67
ARG A 207
PHE A 253
ASP A 208
1.14A13.26
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.
2WM3_A_NFLA1300_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		6acg ACE2
(Homo
sapiens)		5 / 11
TRP D 275
LEU D 440
ASN D 277
TYR D 252
LEU D 248
1.53A18.84
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
THR A 260
PHE A  59
LEU A  58
ASP A  44
1.29A12.70
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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
THR A 260
PHE A  59
LEU A  58
ASP A  44
1.32A13.06
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)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU A 412
PHE A 416
GLY A 418
TYR A 410
PHE A 379
1.59A7.08
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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
LEU A 262
PHE A  74
GLY A  68
CYH A  62
PHE A  58
1.75A10.05
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
LEU C 116
THR C 596
LEU C 114
ASP C 445
1.30A17.86
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)		6nus NSP12
(SARSr-CoV)		4 / 6
LEU A 245
THR A 248
LEU A 131
ASP A 465
1.40A15.17
None