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- 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 | 1X2B | - | STX | C9 H15 N3 O2 | CC(C)(C)c1.... |
2 | 1X2E | - | ATX | C9 H15 N3 O2 | C[C@@H](C(.... |
3 | 1WM1 | Ki = 0.5 uM | PTB | C11 H17 N3 O2 | CC(C)(C)c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1X2B | - | STX | C9 H15 N3 O2 | CC(C)(C)c1.... |
2 | 1X2E | - | ATX | C9 H15 N3 O2 | C[C@@H](C(.... |
3 | 1WM1 | Ki = 0.5 uM | PTB | C11 H17 N3 O2 | CC(C)(C)c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AZM | 0.9642 |
2 | EUE | 0.9344 |
3 | VFG | 0.9336 |
4 | S0E | 0.9335 |
5 | PTB | 0.9291 |
6 | VFM | 0.9277 |
7 | G14 | 0.9271 |
8 | 3W8 | 0.9199 |
9 | 6KT | 0.9198 |
10 | 7MW | 0.9193 |
11 | 7O4 | 0.9177 |
12 | ZEC | 0.9170 |
13 | AES | 0.9155 |
14 | ZZA | 0.9130 |
15 | Z13 | 0.9116 |
16 | 4JE | 0.9115 |
17 | ZYX | 0.9113 |
18 | HNT | 0.9109 |
19 | BOQ | 0.9104 |
20 | FBF | 0.9096 |
21 | EIP | 0.9093 |
22 | 1AE | 0.9084 |
23 | 1QP | 0.9084 |
24 | A5P | 0.9077 |
25 | 5H6 | 0.9072 |
26 | I2E | 0.9071 |
27 | DED | 0.9070 |
28 | 3W3 | 0.9068 |
29 | 3W6 | 0.9068 |
30 | DX5 | 0.9067 |
31 | UNJ | 0.9057 |
32 | DEZ | 0.9054 |
33 | 3ZB | 0.9048 |
34 | 9BF | 0.9043 |
35 | HPO | 0.9042 |
36 | JOV | 0.9035 |
37 | N4E | 0.9027 |
38 | 4NP | 0.9020 |
39 | RYV | 0.9015 |
40 | N7I | 0.9011 |
41 | 86L | 0.9009 |
42 | E4P | 0.9007 |
43 | LR5 | 0.9005 |
44 | 4JC | 0.9004 |
45 | NFZ | 0.8997 |
46 | 5SP | 0.8994 |
47 | 657 | 0.8993 |
48 | TJM | 0.8990 |
49 | JCZ | 0.8990 |
50 | 8XL | 0.8986 |
51 | RGP | 0.8978 |
52 | RES | 0.8972 |
53 | DXP | 0.8970 |
54 | 5LA | 0.8969 |
55 | 4MB | 0.8966 |
56 | OHJ | 0.8964 |
57 | R52 | 0.8960 |
58 | VXX | 0.8943 |
59 | 4NS | 0.8941 |
60 | SSC | 0.8940 |
61 | 5DS | 0.8937 |
62 | JA5 | 0.8937 |
63 | 7MX | 0.8933 |
64 | GOE | 0.8931 |
65 | 363 | 0.8930 |
66 | F4E | 0.8927 |
67 | 4I8 | 0.8925 |
68 | VFJ | 0.8921 |
69 | B1J | 0.8920 |
70 | 9R5 | 0.8917 |
71 | C2Y | 0.8914 |
72 | 4A5 | 0.8909 |
73 | HLP | 0.8909 |
74 | ETV | 0.8908 |
75 | IPE | 0.8907 |
76 | IOP | 0.8898 |
77 | F4K | 0.8897 |
78 | 0F3 | 0.8892 |
79 | A7N | 0.8891 |
80 | 0NX | 0.8887 |
81 | XDE | 0.8887 |
82 | ALE | 0.8887 |
83 | BQ2 | 0.8874 |
84 | 5TZ | 0.8872 |
85 | A7H | 0.8866 |
86 | J1K | 0.8865 |
87 | OW7 | 0.8860 |
88 | M4E | 0.8859 |
89 | EZL | 0.8855 |
90 | CXH | 0.8853 |
91 | IPR | 0.8852 |
92 | N1E | 0.8851 |
93 | QIV | 0.8851 |
94 | 36M | 0.8848 |
95 | VD9 | 0.8848 |
96 | 88L | 0.8847 |
97 | 5RP | 0.8846 |
98 | H4E | 0.8846 |
99 | 3TC | 0.8843 |
100 | M78 | 0.8840 |
101 | TRP | 0.8837 |
102 | 1AJ | 0.8837 |
103 | 1F1 | 0.8836 |
104 | 3VQ | 0.8828 |
105 | B15 | 0.8828 |
106 | PNP | 0.8828 |
107 | 5O6 | 0.8824 |
108 | NDD | 0.8823 |
109 | OQC | 0.8815 |
110 | 0HN | 0.8815 |
111 | BL0 | 0.8812 |
112 | EE8 | 0.8802 |
113 | K4V | 0.8802 |
114 | DMA | 0.8798 |
115 | 9NB | 0.8798 |
116 | K3D | 0.8780 |
117 | I3E | 0.8777 |
118 | 2K8 | 0.8777 |
119 | 6HO | 0.8775 |
120 | RYY | 0.8772 |
121 | 6NT | 0.8772 |
122 | VGS | 0.8770 |
123 | LGT | 0.8768 |
124 | 1A7 | 0.8763 |
125 | EF0 | 0.8762 |
126 | 27K | 0.8758 |
127 | 9ZE | 0.8758 |
128 | ODO | 0.8758 |
129 | FF2 | 0.8756 |
130 | EN1 | 0.8754 |
131 | 6ZX | 0.8754 |
132 | LXP | 0.8752 |
133 | BCH | 0.8752 |
134 | PRO GLY | 0.8752 |
135 | PAN | 0.8743 |
136 | R9G | 0.8742 |
137 | 2QC | 0.8741 |
138 | 5NI | 0.8738 |
139 | 3A9 | 0.8738 |
140 | PJL | 0.8735 |
141 | TYR | 0.8734 |
142 | NY4 | 0.8732 |
143 | 92G | 0.8732 |
144 | DEW | 0.8731 |
145 | S0D | 0.8730 |
146 | KMY | 0.8728 |
147 | DVQ | 0.8722 |
148 | LNR | 0.8722 |
149 | GCO | 0.8720 |
150 | GGG | 0.8715 |
151 | NPS | 0.8712 |
152 | M28 | 0.8712 |
153 | P9E | 0.8711 |
154 | TX4 | 0.8710 |
155 | 7FU | 0.8707 |
156 | EYY | 0.8704 |
157 | NPX | 0.8703 |
158 | R10 | 0.8702 |
159 | 2J3 | 0.8702 |
160 | KDG | 0.8701 |
161 | LZ5 | 0.8697 |
162 | 6SD | 0.8696 |
163 | SJK | 0.8696 |
164 | 1ZC | 0.8695 |
165 | KLS | 0.8694 |
166 | E1P | 0.8690 |
167 | D8Q | 0.8690 |
168 | F63 | 0.8689 |
169 | TZM | 0.8689 |
170 | 3UF | 0.8687 |
171 | 58X | 0.8686 |
172 | 5TO | 0.8685 |
173 | 4TP | 0.8684 |
174 | L99 | 0.8680 |
175 | PMV | 0.8679 |
176 | 0FR | 0.8677 |
177 | 1X4 | 0.8677 |
178 | 4Z9 | 0.8676 |
179 | H4B | 0.8675 |
180 | GLY GLY GLY | 0.8675 |
181 | HC4 | 0.8674 |
182 | LO1 | 0.8668 |
183 | LLH | 0.8663 |
184 | VC3 | 0.8660 |
185 | 3XH | 0.8658 |
186 | M3L | 0.8655 |
187 | MRU | 0.8652 |
188 | 1FD | 0.8651 |
189 | SYE | 0.8650 |
190 | CIR | 0.8648 |
191 | 14W | 0.8643 |
192 | L15 | 0.8643 |
193 | HX4 | 0.8643 |
194 | 80G | 0.8640 |
195 | GVY | 0.8636 |
196 | 5SJ | 0.8633 |
197 | RPN | 0.8633 |
198 | 4Z3 | 0.8631 |
199 | UA5 | 0.8629 |
200 | F02 | 0.8625 |
201 | T1N | 0.8624 |
202 | EGR | 0.8618 |
203 | 3IB | 0.8617 |
204 | OA1 | 0.8614 |
205 | 7VP | 0.8609 |
206 | 6L6 | 0.8608 |
207 | 1EB | 0.8605 |
208 | LTT | 0.8603 |
209 | DTR | 0.8593 |
210 | EUH | 0.8589 |
211 | RVE | 0.8579 |
212 | M1T | 0.8575 |
213 | MF3 | 0.8572 |
214 | GT4 | 0.8568 |
215 | JZA | 0.8566 |
216 | OTR | 0.8566 |
217 | DTY | 0.8566 |
218 | 7OD | 0.8563 |
219 | SWX | 0.8550 |
220 | BSA | 0.8549 |
221 | A98 | 0.8548 |
222 | DZA | 0.8548 |
223 | 7AP | 0.8546 |
224 | ZEA | 0.8542 |
225 | 4G2 | 0.8540 |
226 | PUW | 0.8537 |
227 | 1H1 | 0.8531 |
228 | ZZU | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 1wm1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |