Ligand ID: SPP


Drugbank ID:
DB00705
(Delavirdine)


Indication:
For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'SPP' 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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6vxs NSP3
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.61A
None
SO4  A 203 (-4.0A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6vxs NSP3
(SARS-CoV-2)		5 / 11
LEU B 140
VAL B 155
TYR B 161
LEU B 153
PRO B 125
1.61A
None
SO4  B 204 (-3.7A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL A  36
TYR A 204
PRO A 272
LEU A 270
PRO A  57
1.68A18.35
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6w02 NSP3
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.58A17.06
None
APR  A 201 ( 4.6A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6w6y NSP3
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.60A
None
AMP  A 201 ( 4.4A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6w6y NSP3
(SARS-CoV-2)		5 / 11
LEU B 140
VAL B 155
TYR B 161
LEU B 153
PRO B 125
1.59A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6wen NSP3
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.59A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6wey NSP3
(SARS-CoV-2)		5 / 11
LEU A 344
VAL A 359
TYR A 365
LEU A 357
PRO A 329
1.59A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU B 140
VAL B 155
TYR B 161
LEU B 153
PRO B 125
1.54A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.51A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU D 140
VAL D 155
TYR D 161
LEU D 153
PRO D 125
1.54A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU C 140
VAL C 155
TYR C 161
LEU C 153
PRO C 125
1.54A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
LEU A  36
VAL A   7
TYR A  56
PHE A  31
PRO A  46
1.69A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.55A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU B 140
VAL B 155
TYR B 161
LEU B 153
PRO B 125
1.56A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU E 140
VAL E 155
TYR E 161
LEU E 153
PRO E 125
1.59A
None
EDO  E 205 ( 4.2A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU C 140
VAL C 155
TYR C 161
LEU C 153
PRO C 125
1.57A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU D 140
VAL D 155
TYR D 161
LEU D 153
PRO D 125
1.59A
None
EDO  D 208 ( 4.2A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU C 140
VAL C 155
TYR C 161
LEU C 153
PRO C 125
1.56A
None
APR  C 201 ( 4.9A)
EDO  C 203 (-4.5A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU D 140
VAL D 155
TYR D 161
LEU D 153
PRO D 125
1.58A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU E 140
VAL E 155
TYR E 161
LEU E 153
PRO E 125
1.56A
None
APR  E 201 ( 4.9A)
EDO  E 203 (-4.0A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU B 140
VAL B 155
TYR B 161
LEU B 153
PRO B 125
1.56A
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.55A
None
APR  A 201 ( 4.8A)
EDO  A 203 (-3.9A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU C 140
VAL C 155
TYR C 161
LEU C 153
PRO C 125
1.55A
None
EDO  C 206 ( 4.2A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU B 140
VAL B 155
TYR B 161
LEU B 153
PRO B 125
1.58A
None
EDO  B 202 (-4.0A)
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.58A
None