Ligand ID: 8MO


Drugbank ID:
DB00553
(Methoxsalen)


Indication:
For the treatment of psoriasis and vitiligo

Get human targets for 8MO in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '8MO' 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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 11
PHE C 325
VAL C 497
PHE C 329
ILE C 345
LEU C 421
PHE C 379
1.67A18.07
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 11
PHE B  29
ASN B  74
GLY B  55
ILE B  70
LEU B  79
1.31A17.08
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		6 / 10
ASN A 355
ILE A 358
GLY B 322
THR B 333
ILE A 338
LEU A 340
1.68A12.72
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		6 / 11
ASN A 355
ILE A 358
GLY B 322
THR B 333
ILE A 338
LEU A 340
1.69A12.72
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
VAL A 294
ILE A 252
GLY A 253
ILE A 235
PHE A 302
1.34A20.58
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 11
PHE A 315
PHE A 316
ILE B 338
THR A 330
LEU B 354
1.03A14.81
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 10
PHE B 316
ILE B 321
GLY B 322
THR B 333
LEU A 340
1.43A14.81
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
VAL C 294
ILE C 252
GLY C 253
ILE C 235
LEU C 248
1.42A21.22
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
VAL C 294
ILE C 252
GLY C 253
ILE C 235
PHE C 302
1.32A23.63
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 10
PHE A 137
ILE A 126
ILE A 152
LEU A 133
PHE A 148
1.32A20.22
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 11
PHE A 137
ILE A 126
ILE A 152
LEU A 133
PHE A 148
1.30A20.22
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
PHE B 198
GLY B 110
ILE B  87
LEU B 170
PHE B 183
1.29A23.02
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
PHE B 198
GLY B 110
ILE B  87
LEU B 170
PHE B 183
1.28A23.02
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
PHE B 198
GLY B 110
ILE B  87
LEU B 170
PHE B 183
1.29A23.35
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
PHE B 198
GLY B 110
ILE B  87
LEU B 170
PHE B 183
1.31A23.35
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
PHE A 198
GLY A 110
ILE A  87
LEU A 170
PHE A 183
1.37A23.09
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 11
PHE A 187
PHE A 231
PHE A 103
ILE A  87
GLY A  86
LEU A 194
1.64A19.54
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		6 / 11
PHE C 187
PHE C 231
PHE C 103
ILE C  87
GLY C  86
LEU C 194
1.71A16.72
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 10
PHE B 952
ASN C 951
ILE C 955
GLY C 953
LEU c   8
1.41A11.14
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL A 628
ASN A 627
ILE A 637
GLY A 638
ILE A 584
1.22A17.20
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
VAL A 628
ASN A 627
ILE A 637
GLY A 638
ILE A 584
1.19A17.20
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE C 629
ILE C 656
GLY C 653
ILE C 299
LEU C 597
1.24A17.54
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE A 629
ILE A 656
GLY A 653
ILE A 299
LEU A 597
1.17A17.54
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE A 629
ILE A 656
GLY A 653
ILE A 299
LEU A 597
1.13A17.36
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE A 629
ILE A 656
GLY A 653
ILE A 299
LEU A 597
1.11A17.36
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6jyt HELICASE
(SARSr-CoV)		5 / 10
PHE A 225
ILE A 195
GLY A 196
THR A 214
PHE A 200
1.29A22.14
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6jyt HELICASE
(SARSr-CoV)		5 / 11
PHE A 225
ILE A 195
GLY A 196
THR A 214
PHE A 200
1.29A22.14
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE C 629
ILE C 656
GLY C 653
ILE C 299
LEU C 597
1.21A17.02
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PHE C 629
ILE C 656
GLY C 653
ILE C 299
LEU C 597
1.14A17.02
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6nur NSP12
(SARSr-CoV)		5 / 10
PHE A 313
VAL A 315
ILE A 466
LEU A 316
PHE A 287
1.25A19.43
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		6nur NSP12
(SARSr-CoV)		5 / 11
PHE A 313
VAL A 315
ILE A 466
LEU A 316
PHE A 287
1.29A19.43
None