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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.69A22.31
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)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
GLN B 299
ASP B 295
ARG B 298
SER A 123
ASN B 151
1.73A14.57
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU B1290
VAL B1157
PHE B1140
PHE B1008
PHE B1150
1.77A21.27
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		2ajf ACE2
(Homo
sapiens)		5 / 10
GLN A 526
PRO A 321
PHE A 315
PHE A 525
PHE A 555
1.56A20.79
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.71A15.37
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.69A20.49
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.64A20.54
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.73A15.35
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.75A20.35
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		2z9k 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.63A21.09
None
None
None
DMS  A 813 (-3.9A)
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)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
GLN A 526
PRO A 321
PHE A 315
PHE A 525
PHE A 555
1.57A20.96
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)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.52A15.35
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU B 290
VAL B 157
PHE B 140
PHE B   8
PHE B 150
1.61A21.09
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.66A20.91
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.62A15.35
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU B 290
VAL B 157
PHE B 140
PHE B   8
PHE B 150
1.64A20.85
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.48A15.17
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)		3scj ACE2
(Homo
sapiens)		5 / 10
GLN A 526
PRO A 321
PHE A 315
PHE A 525
PHE A 555
1.58A20.47
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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
GLN A 526
PRO A 321
PHE A 315
PHE A 525
PHE A 555
1.56A20.67
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)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.80A20.93
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		3vb3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 299
ASP B 295
ARG B 298
SER A 123
ASN B 151
1.54A15.35
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.77A15.25
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
GLN D 354
GLU D 364
VAL D 398
PHE D 367
PHE D 384
1.76A22.42
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
GLN A 354
GLU A 364
VAL A 398
PHE A 367
PHE A 384
1.78A22.04
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)		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.
2A69_C_RPTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ARG A 342
GLN B 112
PHE A 451
ILE B 228
ASP A 454
1.59A22.14
15.31
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
GLN B 546
GLU C 184
VAL C 276
PHE C  62
PHE C 262
1.64A19.93
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)		5x5f S PROTEIN
(MERS-CoV)		5 / 10
GLN C 772
PHE A 977
VAL A1139
PHE A 788
PHE A1001
1.76A17.73
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG A 747
GLN B 993
GLN B 936
ASP B 932
ILE B1000
1.51A22.19
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PHE C 138
SER C 239
PHE C  89
PHE C  22
PHE C  76
1.55A20.05
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE B 779
VAL B1047
PHE B 870
PHE B 909
PHE B1034
1.73A19.90
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE C 138
SER C 239
PHE C  89
PHE C  22
PHE C  76
1.58A19.90
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.
2A69_C_RPTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ARG C 747
GLN B 993
GLN B 936
PRO B 710
ILE B1000
1.56A22.43
15.68
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)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN C 744
ASP B 932
ARG C 758
SER C 750
MET B 713
1.80A22.43
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)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		5 / 12
GLN D  98
GLN D 101
ILE D  88
ASN B 473
GLU D  35
1.57A18.92
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)		6m1d ACE2
(Homo
sapiens)		5 / 10
GLN D 653
GLU B 667
VAL B 620
PHE B 683
PHE B 681
1.51A21.00
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.
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PHE B 779
VAL B1047
PHE B 870
PHE B 909
PHE B1034
1.74A18.90
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.
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