Ligand ID: 225


Drugbank ID:
DB01023
(Felodipine)


Indication:
For the treatment of mild to moderate essential hypertension.

Get human targets for 225 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '225' 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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
LEU A 119
VAL A  96
THR A 105
VAL A 101
ILE A  99
1.39A23.43
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
LEU A 119
VAL A  96
THR A 105
VAL A 101
ILE A  99
1.27A23.53
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
LEU B 119
VAL B  96
THR B 105
VAL B 101
ILE B  99
1.32A23.48
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3bgf F26G19 FAB
(Mus
musculus)		5 / 10
ALA B 118
THR B 206
VAL B 199
VAL B 144
VAL B 208
1.38A18.14
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
THR E 363
VAL E 496
VAL E 389
ILE E 397
VAL E 420
1.46A16.39
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
VAL B 282
ALA B 281
THR B 277
VAL B 182
ILE B  87
1.38A21.47
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
VAL B 282
ALA B 281
THR B 277
VAL B 182
ILE B  87
1.33A21.25
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5x4r S PROTEIN
(MERS-CoV)		5 / 10
ILE A 295
LEU A 149
ALA A 146
VAL A 118
ILE A 256
1.46A20.65
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
THR B 363
VAL B 496
VAL B 389
ILE B 397
VAL B 420
1.37A16.82
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5x5c S PROTEIN
(MERS-CoV)		5 / 10
LEU C 952
VAL C1128
VAL C1103
VAL C 853
VAL C1107
1.38A16.45
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
THR A 363
VAL A 496
VAL A 389
ILE A 397
VAL A 420
1.37A17.46
THR  A 363 ( 0.8A)
VAL  A 496 ( 0.6A)
VAL  A 389 ( 0.6A)
ILE  A 397 ( 0.7A)
VAL  A 420 ( 0.6A)
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LEU C1031
THR C 705
VAL C1050
PRO C1051
ILE C 702
1.25A17.46
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 10
LEU B1045
VAL B1043
ALA B1037
THR B 856
ILE B 787
VAL B 860
1.51A17.55
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
LEU C1045
ALA C1037
THR C 856
ILE C 787
VAL C 860
1.37A16.83
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 10
LEU B1045
VAL B1043
ALA B1037
THR B 856
ILE B 787
VAL B 860
1.44A16.75
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 10
LEU H 124
VAL H 211
VAL H 163
VAL H 152
VAL H 182
1.66A14.50
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
LEU B 128
VAL B 215
VAL B 167
VAL B 156
VAL B 186
1.61A
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
LEU H 128
VAL H 215
VAL H 167
VAL H 156
VAL H 186
1.65A
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 10
LEU H 128
VAL H 215
VAL H 167
VAL H 156
VAL H 186
1.66A
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
LEU B 128
VAL B 215
VAL B 167
VAL B 156
VAL B 186
1.66A
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
LEU H 128
VAL H 215
VAL H 167
VAL H 156
VAL H 186
1.65A
None