Ligand ID: 9DC


Drugbank ID:
DB06782
(Dimercaprol)


Indication:
For the treatment of arsenic, gold and mercury poisoning. Indicated in acute lead poisoning when used concomitantly with edetate calcium disodium (DB00974).

Get human targets for 9DC in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9DC' 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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.62A21.02
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 8
HIS A 227
HIS A 276
ASN A 219
HIS A 268
1.77A20.39
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.77A20.72
ENB  B1145 (-2.9A)
None
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 8
HIS A  46
HIS A  95
ASN A  38
HIS A  87
1.70A23.05
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
HIS L  48
CYH Q  46
ASN L  62
HIS Q  48
1.71A19.42
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.77A20.12
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.77A20.12
WR1  A 601 (-4.8A)
None
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.77A21.02
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
HIS B 172
HIS B 163
CYH B 145
ASN B 142
1.62A20.12
None
XP1  B1304 (-4.4A)
XP1  B1304 (-1.8A)
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3aw0 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.69A21.02
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.72A20.72
959  A 350 (-4.2A)
None
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.78A21.02
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.73A21.32
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.79A20.12
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.74A20.12
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.77A20.54
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET B  49
HIS B 164
ASP B 187
CYH B  85
1.78A21.32
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.78A21.02
23H  A 401 (-3.8A)
None
None
DMS  A 403 ( 3.7A)
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.76A21.37
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
ASP B 211
HIS B 229
CYH B 207
ASN B 228
1.64A18.10
None
ZN  B 601 (-2.0A)
ZN  B 601 (-2.4A)
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
ASP A 126
HIS M  83
CYH M  77
ASN A 130
1.63A17.71
None
ZN  M 201 (-3.4A)
ZN  M 201 (-2.3A)
None