Ligand ID: 21B


Drugbank ID:
DB00540
(Nortriptyline)


Indication:
Primarily indicated for the relief of symptoms of depression.

Get human targets for 21B in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '21B' 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.
4M48_A_21BA704_1
(TRANSPORTER)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
PHE G 287
VAL G 271
GLY G 288
ALA G 265
1.09A10.49
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.
4M48_A_21BA704_1
(TRANSPORTER)		2dd8 IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 8
ASP L  92
VAL S 394
ASP S 393
GLY S 391
ALA S 422
1.61A17.92
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.
4M48_A_21BA704_1
(TRANSPORTER)		2gri NSP3
(SARSr)		4 / 8
VAL A  58
TYR A  43
SER A  41
ALA A  55
1.49A13.62
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.
4M48_A_21BA704_1
(TRANSPORTER)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr)		4 / 8
ASP B 273
VAL B 244
ASP B 243
ALA B 281
1.31A22.48
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.
4M48_A_21BA704_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP D 215
TYR D 306
SER D 213
ALA D 279
1.13A20.07
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.
4M48_A_21BA704_1
(TRANSPORTER)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
PHE A 262
ASP A  57
VAL A 186
TYR A  41
GLY A  39
1.75A18.20
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.
4M48_A_21BA704_1
(TRANSPORTER)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
VAL B 394
ASP B 392
GLY B 490
ALA B 422
1.10A19.19
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.
4M48_A_21BA704_1
(TRANSPORTER)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
VAL C1022
ASP C1023
TYR C1029
GLY B 871
0.84A19.15
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.
4M48_A_21BA704_1
(TRANSPORTER)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
TYR A 660
SER A 591
GLY A 587
ALA A 658
0.85A18.83
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.
4M48_A_21BA704_1
(TRANSPORTER)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
TYR A 660
SER A 591
GLY A 587
ALA A 658
0.82A19.16
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M48_A_21BA704_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
PHE A  48
VAL A 125
TYR A 129
SER A 431
0.76A35.05
LEU  A 707 (-4.7A)
None
LEU  A 707 ( 3.9A)
LEU  A 707 (-4.2A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
VAL B1111
TYR A 899
GLY B1113
ALA B1069
1.04A19.01
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ASP H 101
SER H  99
GLY H  97
ALA H  93
1.62A14.40
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  91
SER H  99
GLY H  97
ALA H  93
1.71A15.45
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
PHE H  63
SER H  60
GLY H  49
ALA H  93
1.74A14.40
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
PHE L 209
VAL L 150
ASP L 151
SER L 208
1.57A15.45
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE C 215
VAL C 156
ASP C 157
SER C 214
1.56A
None
MLI  C 305 ( 4.5A)
None
MLI  C 304 (-2.5A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE L 215
VAL L 156
ASP L 157
SER L 214
1.57A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
PHE H  29
VAL H 108
GLY H  24
ALA H  97
1.47A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 117
SER H  84
GLY H  15
ALA H  88
1.53A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE L 215
VAL L 156
ASP L 157
SER L 214
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.
4M48_A_21BA704_1
(TRANSPORTER)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
PHE H  29
VAL H 108
GLY H  24
ALA H  97
1.57A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
PHE H  29
VAL H 108
GLY H  24
ALA H  97
1.48A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
PHE L 215
VAL L 156
ASP L 157
SER L 214
1.57A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
PHE C 215
VAL C 156
ASP C 157
SER C 214
1.57A
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
PHE B  29
VAL B 108
GLY B  24
ALA B  97
1.47A
None