Ligand ID: C3D


Drugbank ID:
DB06202
(Lasofoxifene)


Indication:
Investigated for use/treatment in osteoporosis and female hormonal deficiencies/abnormalities.

Get human targets for C3D in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'C3D' 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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU F1167
LEU F 927
LEU F 930
ILE E1160
LEU E1167
1.28A20.08
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU L  19
LEU G  27
LEU G  30
ILE J  12
LEU J  19
1.26A11.98
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
THR C 328
LEU C 309
LEU C 275
GLY C 279
LEU C 291
1.30A20.23
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 6
ASP H  83
GLU H  82
ARG D  26
MET H  92
1.69A21.96
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		6 / 12
LEU B  29
THR B  27
LEU F 472
LEU B  79
LEU B 100
HIS B  34
1.58A17.63
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 920
LEU A 927
LEU F1168
LEU A 920
LEU C 927
1.32A10.33
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU F1168
LEU A 927
LEU A 930
ILE E1161
LEU E1168
1.24A11.64
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
THR B 147
LEU B 128
LEU B  94
GLY B  98
LEU B 110
1.36A21.05
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 12
LEU A  96
LEU A  50
LEU A  53
GLY A  87
LEU A  45
1.32A19.12
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
LEU A   5
LEU A  93
LEU A  96
LEU A  42
LEU A  77
1.26A19.12
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 208
LEU A 262
LEU A 242
LEU A 272
LEU A 250
1.41A19.69
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 161
LEU A 180
LEU A 183
MET A 184
LEU A 153
1.19A21.52
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 161
LEU A 180
LEU A 183
MET A 184
LEU A 153
1.11A20.65
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 208
LEU A 262
LEU A 242
LEU A 272
LEU A 250
1.41A20.83
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU C  89
THR C  35
LEU C 177
LEU C  30
GLY C 179
1.36A21.82
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 161
LEU A 180
LEU A 183
MET A 184
LEU A 153
1.14A20.69
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 208
LEU A 262
LEU A 242
LEU A 272
LEU A 250
1.38A20.06
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 6
ASP C  82
GLU D 132
ARG D  52
MET D  57
1.77A19.60
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		5f22 NSP8
NSP7
(SARSr-CoV)		5 / 12
LEU B  96
THR A  14
LEU A  60
LEU A  64
ILE B 112
1.40A21.57
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		5f22 NSP8
NSP7
(SARSr-CoV)		4 / 6
ALA B  86
ASP B  83
GLU B  82
ARG A  26
1.42A21.57
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 121
LEU D 118
LEU D 114
HIS D 176
LEU D 133
1.40A22.91
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
THR A 238
LEU A 234
LEU A 171
ILE A 290
GLY A 150
1.34A20.29
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
ASP C1023
GLU A1013
ARG B1021
MET C 709
1.67A11.35
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
THR A 238
LEU A 234
LEU A 171
ILE A 290
GLY A 150
1.33A10.86
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		5x59 S PROTEIN
(MERS-CoV)		4 / 6
ALA A 930
GLU C 367
ARG C 614
MET A 913
1.62A10.86
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		6 / 12
LEU B 734
LEU B 966
LEU B 959
LEU B 963
ILE B 724
LEU B 978
1.75A11.35
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		6acj ACE2
(Homo
sapiens)		5 / 12
LEU D 444
THR D 445
LEU D 410
LEU D 584
LEU D 591
1.29A18.08
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ALA B 754
ASP B 757
GLU B 755
ARG C 996
1.17A11.87
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR B 988
LEU B 994
LEU B 745
LEU B 840
ILE B 724
1.25A11.87
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASP B1023
GLU C1013
ARG C1021
MET C 709
1.69A11.63
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 959
LEU A 983
LEU A 735
LEU A 734
GLY A 981
1.38A11.63
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASP A1023
GLU B1013
ARG C1021
MET A 709
1.45A11.63
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		6jyt HELICASE
(SARSr-CoV)		4 / 6
ALA B 135
GLU B 136
TRP B 114
ARG B 129
1.65A16.83
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		6 / 12
LEU A 398
LEU A  52
LEU A 482
ILE A 133
GLY A 428
LEU A 424
1.63A17.55
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 959
LEU C 983
LEU C 735
LEU C 734
GLY C 981
1.35A11.55
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		6nus NSP12
(SARSr-CoV)		6 / 12
LEU A 247
LEU A 212
LEU A 146
LEU A 178
ILE A 171
LEU A 142
1.32A13.56
None