- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3X26 | - | TAN | C5 H9 N | CC(C)(C)C#.... |
2 | 2ZPH | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
3 | 3A8H | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
4 | 2ZPF | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
5 | 2ZPE | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
6 | 2ZPI | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
7 | 3A8G | - | TAN | C5 H9 N | CC(C)(C)C#.... |
8 | 3WVE | - | TAN | C5 H9 N | CC(C)(C)C#.... |
9 | 2ZPG | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
10 | 3A8O | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
11 | 3A8M | - | TAN | C5 H9 N | CC(C)(C)C#.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3X26 | - | TAN | C5 H9 N | CC(C)(C)C#.... |
2 | 2ZPH | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
3 | 3A8H | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
4 | 2ZPF | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
5 | 2ZPE | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
6 | 2ZPI | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
7 | 3A8G | - | TAN | C5 H9 N | CC(C)(C)C#.... |
8 | 3WVE | - | TAN | C5 H9 N | CC(C)(C)C#.... |
9 | 2ZPG | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
10 | 3A8O | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
11 | 3A8M | - | TAN | C5 H9 N | CC(C)(C)C#.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TB0 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CNH | 1.0000 |
2 | TAN | 1.0000 |
3 | VSO | 0.9840 |
4 | ETF | 0.9793 |
5 | HSW | 0.9787 |
6 | 03S | 0.9710 |
7 | ETM | 0.9640 |
8 | CHT | 0.9609 |
9 | 8FH | 0.9580 |
10 | GB | 0.9574 |
11 | EFS | 0.9562 |
12 | 2HP | 0.9550 |
13 | MMQ | 0.9535 |
14 | 9XN | 0.9527 |
15 | TAU | 0.9519 |
16 | FPO | 0.9510 |
17 | 2PA | 0.9508 |
18 | COM | 0.9507 |
19 | PO4 | 0.9492 |
20 | TBU | 0.9491 |
21 | FJO | 0.9473 |
22 | XPO | 0.9472 |
23 | FUS | 0.9469 |
24 | P7I | 0.9466 |
25 | TMO | 0.9449 |
26 | VX | 0.9445 |
27 | ART | 0.9439 |
28 | POA | 0.9436 |
29 | 2HE | 0.9436 |
30 | BF4 | 0.9431 |
31 | 9SB | 0.9421 |
32 | PPF | 0.9374 |
33 | PEJ | 0.9374 |
34 | WO6 | 0.9360 |
35 | 8X3 | 0.9343 |
36 | LAC | 0.9342 |
37 | TAY | 0.9321 |
38 | GLV | 0.9319 |
39 | PPI | 0.9290 |
40 | BTL | 0.9271 |
41 | GOA | 0.9266 |
42 | 61G | 0.9245 |
43 | 2A3 | 0.9243 |
44 | ALA | 0.9227 |
45 | 3GR | 0.9223 |
46 | FAH | 0.9219 |
47 | AKR | 0.9212 |
48 | GLY | 0.9211 |
49 | GXV | 0.9198 |
50 | GOL | 0.9198 |
51 | HVB | 0.9183 |
52 | BU4 | 0.9181 |
53 | NIE | 0.9148 |
54 | J3K | 0.9147 |
55 | AOA | 0.9131 |
56 | SMB | 0.9111 |
57 | PYR | 0.9109 |
58 | F50 | 0.9107 |
59 | HUI | 0.9102 |
60 | F3V | 0.9093 |
61 | 1AC | 0.9088 |
62 | R3W | 0.9088 |
63 | HAE | 0.9081 |
64 | BAL | 0.9070 |
65 | TSZ | 0.9069 |
66 | DZZ | 0.9068 |
67 | HIU | 0.9054 |
68 | 1BP | 0.9039 |
69 | 1SP | 0.9035 |
70 | FW5 | 0.9030 |
71 | THR | 0.9019 |
72 | BUB | 0.9018 |
73 | 39J | 0.9015 |
74 | MGX | 0.9011 |
75 | CYS | 0.9003 |
76 | 03W | 0.8999 |
77 | DGY | 0.8999 |
78 | ABA | 0.8998 |
79 | DSN | 0.8992 |
80 | 2A1 | 0.8984 |
81 | MTG | 0.8983 |
82 | BUA | 0.8982 |
83 | NMU | 0.8971 |
84 | NCM | 0.8971 |
85 | BXA | 0.8965 |
86 | SER | 0.8963 |
87 | AGU | 0.8959 |
88 | 2RA | 0.8957 |
89 | PRI | 0.8952 |
90 | CP2 | 0.8947 |
91 | 4AX | 0.8936 |
92 | A3B | 0.8933 |
93 | DBB | 0.8933 |
94 | NHY | 0.8930 |
95 | TZZ | 0.8930 |
96 | BMD | 0.8926 |
97 | PYZ | 0.8924 |
98 | SAR | 0.8924 |
99 | BUQ | 0.8898 |
100 | OPE | 0.8894 |
101 | BYZ | 0.8893 |
102 | 3BB | 0.8893 |
103 | GBL | 0.8887 |
104 | 3TR | 0.8873 |
105 | DXX | 0.8871 |
106 | 1MZ | 0.8871 |
107 | 4MZ | 0.8871 |
108 | 5MP | 0.8866 |
109 | MSF | 0.8865 |
110 | 2MZ | 0.8864 |
111 | ES3 | 0.8864 |
112 | MR3 | 0.8862 |
113 | C2N | 0.8861 |
114 | DSS | 0.8860 |
115 | 2AI | 0.8851 |
116 | HBS | 0.8849 |
117 | 3HR | 0.8849 |
118 | 6SP | 0.8849 |
119 | PGA | 0.8843 |
120 | HOW | 0.8837 |
121 | SLP | 0.8837 |
122 | DMG | 0.8836 |
123 | MLI | 0.8835 |
124 | JZ6 | 0.8834 |
125 | DCY | 0.8834 |
126 | DE2 | 0.8833 |
127 | 2OP | 0.8830 |
128 | 1CB | 0.8825 |
129 | HBR | 0.8817 |
130 | PXO | 0.8814 |
131 | DAL | 0.8814 |
132 | HLT | 0.8809 |
133 | MEU | 0.8807 |
134 | BAQ | 0.8806 |
135 | 5KX | 0.8801 |
136 | ALQ | 0.8796 |
137 | MZY | 0.8780 |
138 | OXM | 0.8776 |
139 | TFS | 0.8756 |
140 | 3OH | 0.8753 |
141 | OXL | 0.8753 |
142 | NAK | 0.8751 |
143 | CP | 0.8750 |
144 | 3ZS | 0.8742 |
145 | FMS | 0.8741 |
146 | 192 | 0.8739 |
147 | SSN | 0.8738 |
148 | HGY | 0.8737 |
149 | HSE | 0.8736 |
150 | ICN | 0.8716 |
151 | AMT | 0.8713 |
152 | BAE | 0.8711 |
153 | NVA | 0.8700 |
154 | OXD | 0.8690 |
155 | HV2 | 0.8687 |
156 | PUT | 0.8678 |
157 | 3MT | 0.8676 |
158 | EGD | 0.8663 |
159 | MPD | 0.8657 |
160 | PYM | 0.8653 |
161 | MZ0 | 0.8647 |
162 | FCN | 0.8631 |
163 | ATQ | 0.8629 |
164 | MLA | 0.8619 |
165 | MTD | 0.8615 |
166 | DTL | 0.8606 |
167 | NVI | 0.8598 |
168 | 9A4 | 0.8594 |
169 | S0H | 0.8588 |
170 | PRO | 0.8577 |
171 | ACT | 0.8564 |
172 | AKB | 0.8559 |
173 | 40O | 0.8543 |
174 | PAE | 0.8533 |
This union binding pocket(no: 1) in the query (biounit: 3a8h.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |