Ligand ID: RWF


Drugbank ID:
DB00682
(Warfarin)


Indication:
For the treatment of retinal vascular occlusion, pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, transient cerebral ischaemia, arterial embolism and thrombosis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RWF' 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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
PHE B  90
LEU B  45
LEU B   9
SER A 105
ALA B 107
1.53A11.21
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA A  40
LEU C  41
LEU A  41
LEU E  44
ALA E  38
1.59A6.94
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA B 940
LEU C 941
LEU B 941
LEU A 944
ALA A 938
1.58A5.00
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA B 132
LEU B 133
LEU B 173
SER B 156
ALA B 154
1.57A18.64
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 11
PHE A  20
ALA A  31
LEU A  77
LEU A  96
LEU A  42
1.51A12.90
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		2gri NSP3
(SARSr)		5 / 11
LEU A  28
LEU A  66
LEU A  80
SER A  84
ALA A  59
1.23A12.18
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.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 9
TYR A  47
LEU A  95
HIS A  69
LEU A  89
ALA A  83
1.66A18.31
SAH  A1293 (-4.8A)
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.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 9
TYR A  47
LEU A  95
HIS A  69
LEU A  89
ALA A  83
1.64A17.32
SFG  A1298 (-4.6A)
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA A  99
LEU A 100
LEU A 391
ARG A 393
ALA A  36
1.56A20.30
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		3e9s NSP3
(SARSr-CoV)		6 / 11
ALA A 132
LEU A 133
HIS A 176
LEU A 173
SER A 156
ALA A 154
1.68A18.98
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.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 9
TYR A  47
LEU A  95
HIS A  69
LEU A  89
ALA A  83
1.65A18.94
SAM  A 302 (-4.5A)
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		3to2 MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		5 / 11
ALA A 153
LEU A 156
HIS A 114
ARG A  97
ALA C   7
1.46A18.10
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
ALA A 132
LEU A 133
HIS A 176
SER A 156
ALA A 154
1.60A18.78
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 11
ALA B 132
LEU B 133
HIS B 176
SER B 156
ALA B 154
1.50A18.61
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 132
LEU A 133
HIS A 176
LEU A 173
ALA A 154
1.56A18.88
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA D 132
LEU D 133
LEU D 173
SER D 156
ALA D 154
1.53A18.95
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5x4r S PROTEIN
(MERS-CoV)		5 / 11
PHE A 116
LEU A 169
LEU A 171
LEU A 180
ALA A 282
1.53A18.46
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5x59 S PROTEIN
(MERS-CoV)		5 / 11
PHE A 116
LEU A 169
LEU A 171
LEU A 180
ALA A 282
1.52A17.89
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA B 926
LEU B 927
LEU B 920
LEU B 803
SER B 798
1.52A17.22
ALA  B 926 ( 0.0A)
LEU  B 927 ( 0.6A)
LEU  B 920 ( 0.6A)
LEU  B 803 ( 0.6A)
SER  B 798 ( 0.0A)
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
ALA A 132
LEU A 133
HIS A 176
SER A 156
ALA A 154
1.59A18.71
 NA  A 406 (-4.3A)
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA A 940
LEU C 941
LEU A 941
LEU B 944
ALA B 938
1.54A9.58
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA B 971
ARG B 977
LEU B 959
SER B 957
ALA B 954
1.44A17.30
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6ack ACE2
(Homo
sapiens)		5 / 11
ALA D  80
LEU D  29
LEU D 100
LEU D 391
ALA D  36
1.41A20.54
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ALA B 748
LEU B 749
LEU B 745
LEU B 986
SER B 985
1.61A16.95
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ALA B 926
LEU B 927
LEU B 920
LEU B 803
SER B 798
1.45A17.51
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6cs2 ACE2
(Homo
sapiens)		5 / 11
ALA D 443
LEU D 440
LEU D 444
LEU D 278
SER D 280
1.39A20.78
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6m1d ACE2
(Homo
sapiens)		5 / 11
ALA B 569
LEU B 560
ARG B 559
LEU B 568
LEU B  91
1.54A21.35
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA A 926
LEU A 927
LEU A 920
LEU A 803
SER A 798
1.34A16.84
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 11
ALA H 124
HIS H 214
LEU H 189
SER H 191
ALA H 182
1.57A18.33
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6nur NSP12
(SARSr-CoV)		5 / 11
PHE A 571
ALA A 639
LEU A 636
LEU A 655
LEU A 351
1.38A20.27
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.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		6nus NSP12
(SARSr-CoV)		5 / 9
TYR A 787
PHE A 157
LEU A 146
LEU A 178
ALA A 130
1.65A20.27
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		6vw1 ACE2
(Homo
sapiens)		5 / 11
LEU B 281
ARG B 161
LEU B 156
SER B 155
ALA B 153
1.49A20.67
EDO  B 705 (-4.7A)
EDO  B 705 (-3.4A)
EDO  B 705 ( 4.9A)
None
None