Ligand ID: CDX


Drugbank ID:
DB00380
(Dexrazoxane)


Indication:
For reducing the incidence and severity of cardiomyopathy associated with doxorubicin administration in women with metastatic breast cancer who have received a cumulative doxorubicin hydrochloride dose of 300 mg/m^2 and would benefit from continued doxorubicin therapy. Also approved for the treatment of extravasation from intravenous anthracyclines.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CDX' 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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 7
ASN B 353
TYR B 350
LEU B 322
GLN B 323
1.17A19.69
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2ajf ACE2
(Homo
sapiens)		4 / 7
THR A 517
ASN A 580
LEU A 570
GLN A 524
1.38A20.81
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS B  41
THR B  25
ASN B 119
GLN B  19
1.35A20.63
ENB  B1145 (-3.4A)
ENB  B1145 ( 4.7A)
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 7
HIS R  48
THR L 101
ASN L  62
GLN L  65
1.18A15.01
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 7
HIS B  41
THR B  25
ASN B 119
GLN B  19
1.37A20.50
WR1  B 602 (-3.9A)
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 7
HIS B  41
THR B  25
ASN B 119
GLN B  19
1.35A20.63
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		2v6n REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.25A20.70
XP1  A2307 (-3.4A)
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
THR B 517
ASN B 580
LEU B 570
GLN B 524
1.33A20.81
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS B  41
THR B  25
ASN B 119
GLN B  19
1.29A20.70
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.38A20.93
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		4 / 7
ASN F   5
TYR D 159
LEU D 160
GLN D 156
1.43A2.50
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS B  41
THR B  25
ASN B 119
GLN B  19
1.40A20.70
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.41A20.63
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TYR B 521
ASN B 580
LEU B 570
GLN B 524
1.21A20.61
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.39A21.03
ECC  H   5 ( 4.3A)
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 7
THR A  43
TYR A  26
ASN A  21
LEU A  30
GLN A  29
1.47A20.95
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		4twy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.33A20.70
3BL  A 401 ( 3.9A)
3BL  A 401 (-4.4A)
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.34A20.93
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6acj ACE2
(Homo
sapiens)		4 / 7
THR D 517
ASN D 580
LEU D 570
GLN D 524
1.36A20.61
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
THR A 991
ASN A 937
LEU A 749
GLN A 993
1.26A15.89
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
THR A  73
TYR A  74
TYR A 116
LEU A  95
1.12A20.71
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6jyt HELICASE
(SARSr)		4 / 7
TYR B 149
ASN B 177
TYR B 180
LEU B 227
1.36A19.77
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6m1d ACE2
(Homo
sapiens)		4 / 7
TYR D 521
ASN D 580
LEU D 570
GLN D 524
1.34A19.41
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
HIS H 200
THR H 116
TYR H 176
LEU H 175
1.66A17.15
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
THR L  94
TYR L  96
TYR L  91
GLN L  90
1.68A17.22
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
THR L  94
TYR L  96
TYR L  91
GLN L  90
1.68A17.22
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
HIS H 200
THR H 116
TYR H 176
LEU H 175
1.65A17.15
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
THR L 100
TYR L 102
TYR L  97
GLN L  96
1.63A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
THR L 100
TYR L 102
TYR L  97
GLN L  96
1.63A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
THR C 100
TYR C 102
TYR C  97
GLN C  96
1.62A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
HIS H 204
THR H 120
TYR H 180
LEU H 179
1.74A
None
None
None
MLI  H 301 ( 4.9A)
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
THR C 100
TYR C 102
TYR C  97
GLN C  96
1.62A
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
THR L 100
TYR L 102
TYR L  97
GLN L  96
1.67A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
THR L 100
TYR L 102
TYR L  97
GLN L  96
1.67A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
HIS H 204
THR H 120
TYR H 180
LEU H 179
1.73A
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
THR C 100
TYR C 102
TYR C  97
GLN C  96
1.63A
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
THR L 100
TYR L 102
TYR L  97
GLN L  96
1.63A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
HIS B 204
THR B 120
TYR B 180
LEU B 179
1.74A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
THR L 100
TYR L 102
TYR L  97
GLN L  96
1.63A
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
HIS H 204
THR H 120
TYR H 180
LEU H 179
1.73A
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
THR C 100
TYR C 102
TYR C  97
GLN C  96
1.63A
None