Receptor
PDB id Resolution Class Description Source Keywords
3MYZ 1.6 Å NON-ENZYME: TRANSPORT PROTEIN INDUCED PHOTOPHYSICAL CHANGES TO THE AMYLOID INDICAT THIOFLAVIN T HOMO SAPIENS AMYLOID THIOFLAVIN T PARKINSON-prime S ALZHEIMER-prime S BETA-2 MICROGLOBULIN IMMUNE SYSTEM
Ref.: PROTEIN-INDUCED PHOTOPHYSICAL CHANGES TO THE AMYLOI INDICATOR DYE THIOFLAVIN T. PROC.NATL.ACAD.SCI.USA V. 107 16863 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:103;
A:1428;
B:1428;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
TFX A:101;
A:102;
B:101;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
283.411 C17 H19 N2 S Cc1cc...
TLA A:501;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MYZ 1.6 Å NON-ENZYME: TRANSPORT PROTEIN INDUCED PHOTOPHYSICAL CHANGES TO THE AMYLOID INDICAT THIOFLAVIN T HOMO SAPIENS AMYLOID THIOFLAVIN T PARKINSON-prime S ALZHEIMER-prime S BETA-2 MICROGLOBULIN IMMUNE SYSTEM
Ref.: PROTEIN-INDUCED PHOTOPHYSICAL CHANGES TO THE AMYLOI INDICATOR DYE THIOFLAVIN T. PROC.NATL.ACAD.SCI.USA V. 107 16863 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3MYZ - TFX C17 H19 N2 S Cc1ccc2c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3MYZ - TFX C17 H19 N2 S Cc1ccc2c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3MYZ - TFX C17 H19 N2 S Cc1ccc2c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TFX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TFX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3myz.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3myz.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found: 44
This union binding pocket(no: 3) in the query (biounit: 3myz.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PNO NAP 0.0003385 0.50914 None
2 1BWO LPC 0.0261 0.43996 None
3 5FL5 82E 0.001639 0.43747 3
4 1UP7 NAD 0.03308 0.43043 3
5 2XOC ADP 0.008654 0.40709 4
6 4P25 FUC GAL NAG FUC 0.0004753 0.51268 5
7 4DO1 ANN 0.0006487 0.49378 5
8 3OZV FAD 0.01442 0.43757 5
9 2W3O TYR ALA GLY SEP TPO ASP GLU ASN 0.01005 0.43454 5
10 2VSS ACO 0.007033 0.43093 5
11 2VSU ACO 0.00766 0.42549 5
12 3HGM ATP 0.01137 0.454 6
13 4UCI ADN 0.000108 0.45143 6
14 1N0U SO1 0.02141 0.42254 6
15 4ZAD 4LU 0.006208 0.41091 6
16 4ISK UMP 0.001187 0.4458 7
17 5BV3 M7G 0.02768 0.44007 7
18 1MJH ATP 0.01133 0.45375 8
19 2BZG SAH 0.01128 0.44577 8
20 2IYA ZIO 0.0282 0.41128 8
21 2QHD DAO 0.00594 0.44151 9
22 4B7H NDP 0.0187 0.41053 9
23 1NM5 NAD 0.0005196 0.51886 10
24 1NM5 NAP 0.0005042 0.51886 10
25 1AMU AMP 0.009344 0.40281 10
26 2IMP NAI 0.02895 0.43668 12
27 4BVA T3 0.04307 0.41672 12
28 3EYA FAD 0.02323 0.40483 12
29 4C2X NHW 0.01197 0.43356 13
30 2XG9 NOJ GLC 0.02445 0.41778 13
31 2AAZ UMP 0.001699 0.44328 14
32 2YNC YNC 0.007317 0.45695 15
33 1DY4 SNP 0.0282 0.44045 15
34 4Q0L V14 0.006683 0.4047 15
35 3EEB IHP 0.004689 0.45986 16
36 3LVW GSH 0.02758 0.42949 16
37 5A3T MMK 0.0003777 0.54439 17
38 1UNH IXM 0.008131 0.44314 17
39 3O2Q PRO THR SEP PRO SER TYR 0.02423 0.42568 17
40 3O0G 3O0 0.02195 0.41006 17
41 1H82 GZZ 0.01323 0.46181 18
42 1H82 FAD 0.01495 0.45932 18
43 1KUK PCA LYS TRP 0.01769 0.43451 18
44 3QXV MTX 0.04046 0.40375 18
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