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 232 families.
1 3MYZ - TFX C17 H19 N2 S Cc1ccc2c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 7AFV - SJK C9 H11 N3 O2 S2 C1CSC2=NC=....
2 3MYZ - TFX C17 H19 N2 S Cc1ccc2c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 7AFV - SJK C9 H11 N3 O2 S2 C1CSC2=NC=....
2 3MYZ - TFX C17 H19 N2 S Cc1ccc2c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TFX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TFX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TFX; Similar ligands found: 227
No: Ligand Similarity coefficient
1 135 0.9592
2 J2W 0.9370
3 789 0.9350
4 DX8 0.9330
5 F36 0.9244
6 72H 0.9237
7 GEN 0.9222
8 W2E 0.9221
9 HMO 0.9207
10 1UR 0.9185
11 1V0 0.9178
12 1UT 0.9171
13 397 0.9168
14 08C 0.9167
15 ZTW 0.9155
16 0NJ 0.9153
17 M16 0.9142
18 Y27 0.9139
19 06R 0.9135
20 AZB 0.9131
21 O53 0.9124
22 47X 0.9105
23 31F 0.9103
24 29F 0.9091
25 G2V 0.9080
26 1R5 0.9079
27 27F 0.9064
28 XAV 0.9060
29 AX1 0.9056
30 124 0.9056
31 H75 0.9054
32 WF4 0.9053
33 A63 0.9051
34 9C8 0.9050
35 SJR 0.9045
36 90G 0.9041
37 Y0R 0.9041
38 738 0.9037
39 OSY 0.9033
40 2JP 0.9030
41 K3T 0.9025
42 MQ1 0.9021
43 1HP 0.9021
44 J2N 0.9015
45 97K 0.9004
46 RF2 0.9000
47 1V8 0.8999
48 WG8 0.8997
49 JKN 0.8994
50 A64 0.8992
51 NVS 0.8992
52 4DE 0.8987
53 4FC 0.8985
54 9EG 0.8984
55 2TH 0.8975
56 7FC 0.8971
57 5WW 0.8968
58 D64 0.8964
59 MBT 0.8964
60 ZUF 0.8954
61 AJ8 0.8952
62 C0V 0.8945
63 1UZ 0.8943
64 68C 0.8942
65 BP5 0.8941
66 LWA 0.8940
67 BUN 0.8935
68 A46 0.8933
69 55H 0.8932
70 J84 0.8930
71 HAU 0.8924
72 91F 0.8923
73 NKI 0.8921
74 2ZI 0.8919
75 IY5 0.8916
76 EI1 0.8913
77 J3B 0.8911
78 9M9 0.8899
79 3K1 0.8898
80 CUE 0.8898
81 L8N 0.8897
82 E98 0.8893
83 338 0.8889
84 IZ9 0.8889
85 E8Z 0.8884
86 3G5 0.8881
87 7EL 0.8881
88 E92 0.8879
89 FJR 0.8876
90 4KN 0.8870
91 DEH 0.8869
92 120 0.8865
93 23M 0.8862
94 SDN 0.8853
95 SZ5 0.8848
96 X2L 0.8847
97 RGK 0.8843
98 LU2 0.8841
99 AOB 0.8839
100 3F4 0.8839
101 40N 0.8838
102 F08 0.8836
103 ENY 0.8835
104 PW8 0.8833
105 136 0.8833
106 4CN 0.8832
107 5TU 0.8832
108 SAU 0.8831
109 121 0.8830
110 25F 0.8829
111 EBB 0.8827
112 122 0.8825
113 BMZ 0.8825
114 CR4 0.8825
115 5OR 0.8820
116 F33 0.8818
117 4ZW 0.8818
118 GN5 0.8816
119 L43 0.8812
120 LI7 0.8810
121 6H2 0.8808
122 J2Q 0.8807
123 801 0.8798
124 5XM 0.8795
125 L2K 0.8790
126 7G2 0.8790
127 AU6 0.8780
128 EES 0.8775
129 HCC 0.8771
130 TEF 0.8768
131 NAR 0.8766
132 H2W 0.8765
133 IYX 0.8762
134 S16 0.8762
135 0S0 0.8759
136 W8L 0.8756
137 WLH 0.8752
138 AO 0.8744
139 1SX 0.8743
140 6BK 0.8741
141 CDJ 0.8740
142 BSU 0.8739
143 A9B 0.8738
144 E9L 0.8733
145 4B8 0.8730
146 5EZ 0.8730
147 K97 0.8729
148 TVZ 0.8729
149 BZH 0.8728
150 9AW 0.8726
151 1V1 0.8726
152 5ZM 0.8723
153 HTK 0.8722
154 NNF 0.8722
155 907 0.8721
156 CIU 0.8720
157 1VG 0.8719
158 ESJ 0.8718
159 4P9 0.8717
160 HUL 0.8714
161 4ZF 0.8712
162 A73 0.8708
163 3GG 0.8706
164 OLU 0.8706
165 1W3 0.8705
166 20D 0.8700
167 1Q2 0.8699
168 GBJ 0.8692
169 7EH 0.8692
170 5ER 0.8688
171 9YD 0.8682
172 32F 0.8678
173 9B2 0.8671
174 SLX 0.8670
175 DFL 0.8668
176 VT3 0.8663
177 MRE 0.8663
178 2X1 0.8661
179 7G0 0.8658
180 FJU 0.8658
181 D26 0.8649
182 NZO 0.8649
183 IPJ 0.8649
184 6VW 0.8649
185 J8D 0.8647
186 M3W 0.8646
187 ZAR 0.8641
188 HPX 0.8641
189 BXS 0.8639
190 272 0.8636
191 BC5 0.8635
192 658 0.8630
193 0MB 0.8626
194 OSJ 0.8622
195 7FZ 0.8620
196 7B1 0.8615
197 205 0.8613
198 OSD 0.8606
199 A26 0.8603
200 EST 0.8596
201 1Q1 0.8593
202 C9G 0.8589
203 TID 0.8587
204 97Z 0.8585
205 K0Z 0.8584
206 BCE 0.8583
207 DX2 0.8581
208 KWD 0.8580
209 041 0.8579
210 XYP XYP 0.8577
211 J3Z 0.8575
212 JVB 0.8571
213 0UL 0.8563
214 BER 0.8563
215 TES 0.8559
216 196 0.8555
217 IW3 0.8550
218 697 0.8548
219 IQW 0.8536
220 HH6 0.8532
221 OSG 0.8526
222 EQU 0.8524
223 8E6 0.8523
224 STL 0.8522
225 0DF 0.8512
226 CWE 0.8510
227 ESR 0.8508
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: 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 Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3MYZ; Ligand: TFX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3myz.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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