Ligand ID: MMZ


Drugbank ID:
DB00763
(Methimazole)


Indication:
For the treatment of hyperthyroidism, goiter, Graves disease and psoriasis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MMZ' 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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A 119
TYR B1154
SER A 123
1.30A23.03
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
ASN E 123
TYR E 154
SER A  59
1.54A20.27
GOL  E2004 (-4.5A)
None
GOL  E2001 ( 4.3A)
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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		2ajf ACE2
(Homo
sapiens)		4 / 4
TYR B 202
ASN B 103
SER B 106
SER B 105
1.51A20.33
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
ASN B  49
TYR F 484
SER B  44
1.67A21.63
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A 214
SER A   0
SER A   1
1.36A22.65
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A 119
TYR B 154
SER A 123
1.36A22.46
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		3 / 3
ASN L  69
TYR L   3
SER L  30
1.66A18.97
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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 4
TYR A 442
ASN A 473
SER B 195
SER B 184
1.80A18.02
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASN A 347
TYR A 383
SER A 380
1.21A19.28
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
ASN D  57
TYR D 102
SER C 432
1.60A19.16
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
ASN D  62
TYR D  88
SER D 161
1.69A23.33
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr)		3 / 3
ASN A 143
TYR A 181
SER A 145
1.38A22.49
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
ASN A  33
SER A 200
SER A 201
1.37A20.98
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
ASN A 143
TYR A 181
SER A 145
1.38A22.39
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		3bgf F26G19 FAB
(Mus
musculus)		3 / 3
ASN L 212
TYR L 186
SER L 191
1.51A19.02
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		3bgf F26G19 FAB
(Mus
musculus)		3 / 3
ASN B  84
TYR B 177
SER B 112
1.24A19.42
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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 4
TYR B 202
ASN B 103
SER B 106
SER B 105
1.36A20.29
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ASN A 117
SER A 105
SER A 106
0.85A20.29
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ASN A  49
TYR E 484
SER A  44
1.71A20.77
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
ASN A 143
TYR A 181
SER A 145
1.40A22.08
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		3sci ACE2
(Homo
sapiens)		3 / 3
ASN A  51
SER A  47
SER A  44
1.06A21.09
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
ASN B  49
TYR F 484
SER B  44
1.65A21.43
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ASN B  49
TYR F 484
SER B  44
1.72A20.57
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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 4
TYR A 202
ASN A 103
SER A 106
SER A 105
1.48A21.05
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ASN A 117
SER A 105
SER A 106
1.03A21.05
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASN A 119
TYR B 154
SER A 123
1.47A23.16
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		3 / 3
ASN B  63
TYR A  30
SER A  15
1.57A20.80
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		3 / 3
ASN B  63
TYR A  30
SER A  15
1.46A20.61
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5f22 NSP8
NSP7
(SARSr-CoV)		3 / 3
ASN B 123
TYR B 154
SER A  59
1.57A17.89
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
ASN A 386
TYR A 392
SER A 507
1.68A20.39
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ASN C 409
TYR C 481
SER C 336
1.37A16.98
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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		5x59 S PROTEIN
(MERS-CoV)		4 / 4
TYR B 184
ASN B 166
SER B 152
SER B 151
1.64A15.88
None
NAG  B1408 (-3.1A)
NAG  B1408 ( 4.0A)
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ASN A 108
SER A 111
SER C 456
1.04A16.19
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		5x5c S PROTEIN
(MERS-CoV)		3 / 3
ASN B 501
TYR B 541
SER B 498
1.20A15.33
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
ASN B1163
SER B1189
SER B1190
0.96A15.88
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASN C  65
SER C  35
SER C  36
1.39A15.97
ASN  C  65 ( 0.6A)
SER  C  35 ( 0.0A)
SER  C  36 ( 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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6acg ACE2
(Homo
sapiens)		4 / 4
TYR D 202
ASN D 103
SER D 106
SER D 105
1.44A21.09
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASN A 230
SER A 105
SER A 113
1.13A15.97
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASN A  96
TYR A 200
SER A 169
1.01A17.74
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ASN B 951
SER B 957
SER B 949
1.28A16.85
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ASN C 347
TYR C 383
SER C 380
1.26A17.17
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ASN A 951
SER A 957
SER A 949
1.23A16.22
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6cs2 ACE2
(Homo
sapiens)		3 / 3
ASN D  51
SER D  47
SER D  44
1.30A20.77
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		6kl2 NUCLEOPROTEIN
(MERS-CoV)		3 / 3
ASN A  39
TYR A  77
SER A  42
1.16A14.70
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6lzg ACE2
(Homo
sapiens)		3 / 3
ASN A  51
SER A  47
SER A  44
1.19A20.33
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.
5GSN_C_MMZC503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6m17 ACE2
(Homo
sapiens)		4 / 4
TYR B 202
ASN B 103
SER B 106
SER B 105
1.37A20.85
None
NAG  B 905 (-2.3A)
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6m17 ACE2
(Homo
sapiens)		3 / 3
ASN D  51
SER D  47
SER D  44
1.26A20.85
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.
5FF1_A_MMZA601_1
(LACTOPEROXIDASE)		6m1d ACE2
(Homo
sapiens)		4 / 5
GLN D 653
ARG D 710
GLU B 639
LEU B 642
1.75A21.33
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		6m1d ACE2
(Homo
sapiens)		3 / 3
ASN B 508
TYR B 180
SER B 502
1.75A19.44
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASN B 951
SER B 957
SER B 949
1.33A15.95
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		6nur NSP7
NSP8
(SARSr-CoV)		3 / 3
ASN D 118
TYR D 149
SER C  54
1.50A20.50
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		6nur NSP12
(SARSr-CoV)		3 / 3
ASN A 703
TYR A 479
SER A 754
1.66A19.03
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
ASN L  31
SER L  52
SER L  65
1.02A16.02
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.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
ASN H  76
TYR H  79
SER H  74
1.57A16.59
None