Ligand ID: RIS


Drugbank ID:
DB00884
(Risedronate)


Indication:
For the treatment of Paget's disease of the bone (osteitis deformans), postmenopausal and glucocorticoid-induced osteoporosis

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RIS' 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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 112
ASP A 289
LYS A 137
THR A 135
ASP A 197
1.73A21.79
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 112
ASP A 289
LYS A 137
THR A 135
ASP A 197
1.76A21.74
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE D 112
ASP D 289
LYS D 137
THR D 135
ASP D 197
1.79A21.63
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE C 291
ARG C 131
GLN C 127
THR C 292
GLN C 110
1.77A21.63
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 240
ASP A 465
ARG A 132
LEU A 731
TYR A 728
1.78A16.79
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 112
ASP A 289
LYS A 137
THR A 135
ASP A 197
1.78A21.63
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG C 138
THR C  10
LEU C  16
THR C  54
TYR C  56
1.49A22.19
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG A 138
THR A  10
LEU A  16
THR A  54
TYR A  56
1.59A22.19
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 112
ASP A 289
LYS A 137
THR A 135
ASP A 197
1.74A21.63
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A 290
THR A 281
LYS A 279
THR A 277
GLN A 122
1.69A22.19
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A 290
THR A 281
LYS A 279
THR A 277
GLN A 122
1.67A22.19
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE B 230
LEU B 232
ASP B 229
LYS B 269
GLN B 273
1.68A21.63
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 112
ASP A 289
LYS A 137
THR A 135
ASP A 197
1.75A21.63
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 240
ASP A 465
ARG A 132
LEU A 731
TYR A 728
1.79A16.79
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.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
SER A 681
ASP A 684
ARG A 631
THR A 538
GLN A 661
1.43A13.94
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ARG A 631
THR A 540
THR A 538
GLN A 661
1.51A17.37
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ARG A 631
THR A 540
THR A 538
GLN A 661
1.53A17.12
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ARG A 631
THR A 540
THR A 538
GLN A 661
1.53A17.12
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 240
ASP A 465
ARG A 132
LEU A 731
TYR A 728
1.67A17.37
None