Ligand ID: ICF


Drugbank ID:
DB00753
(Isoflurane)


Indication:
For induction and maintenance of general anesthesia.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'ICF' 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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		6m71 NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
SER A 239
TYR A 237
LEU A 207
1.74A12.43
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
LEU C 189
SER C  94
TYR C 266
LEU C 216
1.78A9.34
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 4
LEU B 190
SER B 155
TYR B 179
LEU B  76
1.69A19.78
None
EDO  B 410 (-3.6A)
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.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 9
ILE B 300
TYR B 251
GLU B 252
LEU B 253
LYS B 254
1.76A22.22
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 4
LEU B 190
SER B 155
TYR B 179
LEU B  76
1.69A20.56
None
EDO  B 404 (-3.6A)
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 4
LEU A 190
SER A 155
TYR A 179
LEU A  76
1.71A20.56
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 4
LEU A 119
SER A 136
TYR A 132
LEU A  16
1.72A19.14
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		7btf NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
SER A 239
TYR A 237
LEU A 207
1.70A12.43
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
SER A 239
TYR A 237
LEU A 207
1.68A12.42
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
SER A 239
TYR A 237
LEU A 207
1.70A12.42
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.
3F78_B_ICFB2_1
(INTEGRIN ALPHA-L)		7bv2 NSP12
(SARS-CoV-2)		5 / 9
ILE A 856
ILE A 888
LYS A 890
GLU A 894
LEU A 895
1.62A11.60
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
SER A 236
TYR A 237
LEU A 207
1.80A12.42
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.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		7bv2 NSP12
(SARS-CoV-2)		5 / 9
ILE A 856
ILE A 888
LYS A 890
GLU A 894
LEU A 895
1.60A11.60
None