Ligand ID: MXD


Drugbank ID:
DB00350
(Minoxidil)


Indication:
For the treatment of severe hypertension and in the topical treatment (regrowth) of androgenic alopecia in males and females and stabilisation of hair loss in patients with androgenic alopecia.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MXD' 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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 6
ALA D 938
LEU D 941
ALA F 940
THR F 943
ASN F 942
1.59A12.71
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		1wnc E2 GLYCOPROTEIN
(SARSr)		4 / 6
ALA D 938
LEU D 941
ALA F 940
THR F 943
1.44A12.71
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 6
ALA G  38
LEU G  41
ALA K  40
THR K  43
ASN K  42
1.66A6.60
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
ALA A 938
LEU A 941
ALA C 940
THR C 943
ASN C 942
1.66A5.11
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
TYR B  73
ALA B  69
LEU B  81
THR B  10
1.15A21.83
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		3e9s NSP3
(SARSr-CoV)		4 / 6
TYR A  84
ALA A 150
LEU A 151
ALA A 136
1.16A22.27
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		3i6l HLA, A-24
(Homo
sapiens)		4 / 6
TYR D 116
ALA D 117
LEU D  95
ALA D  81
1.16A20.87
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
TYR A  84
ALA A 150
LEU A 151
ALA A 136
1.20A23.53
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		4 / 6
TYR B  84
ALA B 150
LEU B 151
ALA B 136
1.15A22.27
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
TYR A  84
ALA A 150
LEU A 151
ALA A 136
1.16A23.62
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
TYR B  84
ALA B 150
LEU B 151
ALA B 136
1.17A22.07
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
TYR A 989
ALA A 940
LEU A 941
ALA A 714
1.00A16.72
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5x59 S PROTEIN
(MERS-CoV)		4 / 6
TYR A1192
ALA A1166
ALA B 962
THR B 961
1.09A17.27
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR A 989
ALA A 940
LEU A 941
ALA A 714
1.04A17.41
TYR  A 989 ( 1.3A)
ALA  A 940 ( 0.0A)
LEU  A 941 ( 0.6A)
ALA  A 714 ( 0.0A)
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
TYR A  84
ALA A 150
LEU A 151
ALA A 136
1.13A23.32
None
None
None
NA  A 405 ( 3.8A)
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
ALA A 938
LEU A 941
ALA B 940
THR B 943
ASN B 942
1.69A10.07
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C 989
ALA C 940
LEU C 941
ALA C 714
0.96A17.41
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
TYR C 989
ALA C 940
LEU C 941
ALA C 714
1.14A17.66
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
TYR C 989
ALA C 940
LEU C 941
ALA C 714
1.06A17.00
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR B 989
ALA B 940
LEU B 941
ALA B 714
1.08A17.38
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6nur NSP12
(SARSr)		4 / 6
TYR A 129
ALA A 130
ALA A 784
ASN A 781
1.43A19.90
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6nus NSP12
(SARSr-CoV)		4 / 6
TYR A 787
ALA A 784
ALA A 130
THR A 141
1.16A19.90
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ALA H 125
LEU H 138
THR H 193
ASN H 155
1.49A14.66
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ALA H 125
LEU H 124
ALA H 137
THR H 183
1.75A14.66
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
ALA L  34
LEU L  33
THR L   5
ASN L  22
1.47A15.53
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ALA H 125
LEU H 138
ALA H 136
THR H 135
1.62A14.66
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ALA H 125
LEU H 124
ALA H 137
THR H 183
1.75A14.66
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ALA H 125
LEU H 138
ALA H 136
THR H 135
1.68A14.66
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ALA H 125
LEU H 138
THR H 193
ASN H 155
1.42A14.66
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
ALA L  34
LEU L  33
THR L   5
ASN L  22
1.51A15.53
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
ALA L  40
LEU L  39
THR L   5
ASN L  22
1.49A
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
ALA L  40
LEU L  39
THR L   5
ASN L  22
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
ALA C  40
LEU C  39
THR C   5
ASN C  22
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
ALA C  40
LEU C  39
THR C   5
ASN C  22
1.49A
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
ALA L  40
LEU L  39
THR L   5
ASN L  22
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
ALA C  40
LEU C  39
THR C   5
ASN C  22
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
ALA L  40
LEU L  39
THR L   5
ASN L  22
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
ALA L  40
LEU L  39
THR L   5
ASN L  22
1.50A
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
ALA C  40
LEU C  39
THR C   5
ASN C  22
1.49A
None