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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 209 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 175 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 149 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 with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3myz.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 3EM0 CHD 6
Pocket No.: 2; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 3myz.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 1TB4 PEJ 4
2 6FS8 E4Z 10
3 5W7U GY8 11
Pocket No.: 3; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found with APoc: 140
This union binding pocket(no: 3) in the query (biounit: 3myz.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1PNO NAP None
2 4UAI 3GG None
3 1BWO LPC None
4 5O1I 9GH None
5 2CB8 MYA None
6 3GC8 B45 None
7 4ZQX ATP None
8 2QTR NXX None
9 4WKI 3PW None
10 1YOA FAD None
11 1D4O NAP 2
12 1DJL NAP 2
13 5E50 ALA TYR ASP GLU SEP TPO ASP GLU GLU 2
14 4IEN COA 3
15 3QUR ADP 3
16 3QUR FM4 3
17 1UP7 NAD 3
18 5OCM NAP 3
19 6FE1 V14 3
20 4UOX PLP PUT 3
21 2XOC ADP 4
22 4YGF AZM 4
23 4P25 FUC GAL NAG FUC 5
24 4DO1 ANN 5
25 2XCG XCG 5
26 3OZV FAD 5
27 2W3O TYR ALA GLY SEP TPO ASP GLU ASN 5
28 2VSS ACO 5
29 2VSU ACO 5
30 2XNJ FAD 5
31 2XNJ NAP 5
32 2C5A NAD 5
33 2C5A GDC 5
34 6BSW UDP 5
35 5DDW 5B6 5
36 5E2N V14 5
37 3P9Y N7P THR SEP PRO SER TYR SET 5
38 3HGM ATP 6
39 4UCI ADN 6
40 6CHP F0Y 6
41 1N0U SO1 6
42 3DLG GWE 6
43 6BSX GDP 6
44 6BSX E7S 6
45 1I00 UMP 6
46 4XUB 43D 6
47 4ZAD 4LU 6
48 2CVZ NDP 6
49 1WP4 NDP 6
50 2J4K U5P 7
51 5ODT ADP 7
52 4ISK UMP 7
53 5BV3 M7G 7
54 1JG0 UMP 7
55 1U8X NAD 7
56 1YKJ PHB 7
57 2IFW ACE PHE LYS PHE PSA LEU AAR 7
58 2NV4 SAM 7
59 2H8Z 8CM 7
60 3LL5 ATP 7
61 3R4S SIA 7
62 3BGD PM6 8
63 3BGD SAH 8
64 1MJH ATP 8
65 5EY9 5SV 8
66 2BZG SAH 8
67 5FAL SKT 8
68 5FAL COA 8
69 3O9P MHI 8
70 2WME NAP 8
71 1CLU DBG 8
72 1UDB NAD 8
73 1UDB UFG 8
74 4GLW NMN 8
75 3I53 SAH 8
76 2IYA ZIO 8
77 4D57 ARG AMP 8
78 5LUN OGA 8
79 5LUN ARG 8
80 2EG5 SAH 8
81 6CR2 LFV 8
82 2OOR TXP 9
83 4B2D FBP 9
84 2QHD DAO 9
85 2Z3U CRR 9
86 4I9B NAD 9
87 4AUA 4AU 9
88 4IP7 FBP 9
89 4B7H NDP 9
90 1NM5 NAP 10
91 1NM5 NAD 10
92 2O3Z AI7 10
93 5TVA AMP 10
94 5UQW GDP 10
95 1AMU AMP 10
96 5Y80 IRE 10
97 4LI4 AMP 11
98 1K4M NAD 11
99 2IMP NAI 12
100 2WSA MYA 12
101 2WSA 646 12
102 4BVA T3 12
103 5HM3 649 12
104 3EYA FAD 12
105 4R4U COA 13
106 4C2X NHW 13
107 6CZ7 MGD 13
108 2XG9 NOJ GLC 13
109 2AAZ UMP 14
110 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 14
111 2YNC YNC 15
112 1DY4 SNP 15
113 2YNE NHW 15
114 2YNE YNE 15
115 3KCC CMP 15
116 4WUP 3UF 15
117 4WW8 VD9 15
118 3EEB IHP 16
119 5MU6 MYA 16
120 5MU6 KFK 16
121 3LVW GSH 16
122 1F6D UDP 16
123 5A3T MMK 17
124 1UNH IXM 17
125 4AU8 Z3R 17
126 3O2Q PRO THR SEP PRO SER TYR 17
127 3O0G 3O0 17
128 1LNM DTX 17
129 1H82 FAD 18
130 1KUK PCA LYS TRP 18
131 4BCN T9N 18
132 3QXV MTX 18
133 5J6D 6H5 19
134 5HQ0 LZ9 19
135 5GQX GLC GLC GLC GLC GLC GLC GLC 23
136 6EQS BV8 23
137 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 23
138 4GAH 0ET 28
139 2AKO ADP 29
140 5NBW 8SK 37
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