Ligand ID: RPT


Drugbank ID:
DB01201
(Rifapentine)


Indication:
For the treatment of pulmonary tuberculosis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RPT' 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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.75A16.98
None
None
None
DMS  A 402 (-3.8A)
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
GLU D 290
VAL D 157
PHE D 140
PHE D   8
PHE D 150
1.69A22.06
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
GLU C 290
VAL C 157
PHE C 140
PHE C   8
PHE C 150
1.71A22.06
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN C 299
ASP C 295
ARG C 298
SER A 123
ASN C 151
1.70A15.45
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN D 299
ASP D 295
ARG D 298
SER B 123
ASN D 151
1.68A15.45
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.59A22.06
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 304
ARG A 651
SER A 647
MET A 629
GLU A 350
1.74A21.25
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.
2A69_C_RPTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ARG A 765
GLN C1011
GLN C 954
PRO C 728
ILE C1018
1.74A22.25
15.44
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.
2A69_C_RPTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ARG C 765
GLN B1011
GLN B 954
PRO B 728
ILE B1018
1.74A22.11
14.93
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6y2e REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.62A22.06
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.74A16.79
None
None
None
DMS  A 403 (-3.8A)
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.76A21.05
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.76A21.05
None