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-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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 11
LEU F 421
VAL F 354
TYR F 352
PRO F 324
PHE F 325
1.76A13.93
None
NAG  F1330 (-4.8A)
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)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU A 173
TYR A 137
PRO A 131
LEU A 133
TYR A 155
1.75A19.25
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 11
LEU D  45
LYS D  43
VAL D 217
TYR D 168
TRP D 107
1.45A17.06
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
LEU B 595
LYS B 596
VAL B 604
LEU B 240
PRO B 235
1.63A21.80
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)		3e9s NSP3
(SARSr-CoV)		5 / 11
LEU A 173
TYR A 137
PRO A 131
LEU A 133
TYR A 155
1.70A19.54
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU F 421
VAL F 354
TYR F 352
PRO F 324
PHE F 325
1.78A18.00
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
LEU A 173
TYR A 137
PRO A 131
LEU A 133
TYR A 155
1.76A19.65
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)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 11
LEU B 173
TYR B 137
PRO B 131
LEU B 133
TYR B 155
1.72A19.36
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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU D 173
TYR D 137
PRO D 131
LEU D 133
TYR D 155
1.69A19.29
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)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU B 173
TYR B 137
PRO B 131
LEU B 133
TYR B 155
1.66A19.54
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		5 / 11
LEU C 140
VAL C  96
TYR C 138
LEU C  98
PRO C  79
1.78A9.30
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 264
LYS C 265
TYR C  41
PHE A 548
TYR C 266
1.69A18.52
LEU  C 264 ( 0.6A)
LYS  C 265 ( 0.0A)
TYR  C  41 ( 1.3A)
PHE  A 548 ( 1.3A)
TYR  C 266 ( 1.3A)
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)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
LEU A 173
TYR A 137
PRO A 131
LEU A 133
TYR A 155
1.71A19.12
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6acg ACE2
(Homo
sapiens)		5 / 11
LEU D 444
LYS D 441
TYR D 237
PHE D 274
TRP D 275
1.50A21.94
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
TYR A 197
TYR A  41
PRO A 259
LEU A 257
PRO A  61
1.61A18.61
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
TYR B 197
PRO B 259
PHE B  59
LEU B 257
PRO B  61
1.63A19.22
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)		6jyt HELICASE
(SARSr-CoV)		5 / 11
LEU A 428
LYS A 430
TYR A 277
TYR A 398
PRO A 419
1.65A20.96
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU L 140
VAL H 196
PRO H 137
LEU H 138
PRO H 140
1.53A16.96
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11
LEU H  45
LYS H  43
VAL L  85
TYR L  36
TRP H 103
1.63A14.98
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU H  45
LYS H  43
VAL L  91
TYR L  42
TRP H 109
1.74A
None
None
1PE  L1603 ( 4.8A)
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)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU C   4
LYS C  24
VAL C  29
TYR C  97
LEU C  39
1.77A
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)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU B  45
LYS B  43
VAL C  91
TYR C  42
TRP B 109
1.72A
None
None
1PE  C 301 (-4.9A)
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)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU L   4
LYS L  24
VAL L  29
TYR L  97
LEU L  39
1.78A
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)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU H  45
LYS H  43
VAL L  91
TYR L  42
TRP H 109
1.74A
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 11
LEU H  45
LYS H  43
VAL L  91
TYR L  42
TRP H 109
1.74A
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)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
LEU C   4
LYS C  24
VAL C  29
TYR C  97
LEU C  39
1.78A
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 11
LEU B  45
LYS B  43
VAL C  91
TYR C  42
TRP B 109
1.74A
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)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
LEU L   4
LYS L  24
VAL L  29
TYR L  97
LEU L  39
1.77A
None