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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 1331 families. | |||||
1 | 3VW1 | - | CVI | C25 H30 N3 | CN(C)c1ccc.... |
2 | 3VW2 | - | BER | C20 H18 N O4 | COc1ccc2cc.... |
3 | 3VVY | - | ET | C21 H20 N3 | CC[n+]1c2c.... |
4 | 6KO9 | - | XZ1 | C15 H11 Cl F N3 O2 | COc1cc2c(c.... |
5 | 6IE8 | Kd = 60.5 uM | CHD | C24 H40 O5 | C[C@H](CCC.... |
6 | 6IE9 | Kd = 65.3 uM | JN3 | C24 H40 O4 | C[C@H](CCC.... |
7 | 6KO7 | - | ET | C21 H20 N3 | CC[n+]1c2c.... |
8 | 6KO8 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3VW1 | - | CVI | C25 H30 N3 | CN(C)c1ccc.... |
2 | 3VW2 | - | BER | C20 H18 N O4 | COc1ccc2cc.... |
3 | 3VVY | - | ET | C21 H20 N3 | CC[n+]1c2c.... |
4 | 6KO9 | - | XZ1 | C15 H11 Cl F N3 O2 | COc1cc2c(c.... |
5 | 6IE8 | Kd = 60.5 uM | CHD | C24 H40 O5 | C[C@H](CCC.... |
6 | 6IE9 | Kd = 65.3 uM | JN3 | C24 H40 O4 | C[C@H](CCC.... |
7 | 6KO7 | - | ET | C21 H20 N3 | CC[n+]1c2c.... |
8 | 6KO8 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6XC | 0.9423 |
2 | 658 | 0.9347 |
3 | NVS | 0.9322 |
4 | 196 | 0.9251 |
5 | T34 | 0.9223 |
6 | 6JM | 0.9220 |
7 | I0D | 0.9216 |
8 | R9T | 0.9214 |
9 | X8I | 0.9165 |
10 | TQ4 | 0.9160 |
11 | FZB | 0.9154 |
12 | FSE | 0.9154 |
13 | MYU | 0.9134 |
14 | 3TI | 0.9131 |
15 | QUE | 0.9127 |
16 | HUL | 0.9124 |
17 | 3WL | 0.9121 |
18 | 338 | 0.9110 |
19 | 6QT | 0.9108 |
20 | LU2 | 0.9107 |
21 | DQH | 0.9106 |
22 | MQ1 | 0.9097 |
23 | Q92 | 0.9082 |
24 | 7FC | 0.9077 |
25 | E92 | 0.9076 |
26 | TVC | 0.9067 |
27 | 7LU | 0.9061 |
28 | 1W3 | 0.9054 |
29 | E9L | 0.9047 |
30 | TQ3 | 0.9045 |
31 | 9YD | 0.9044 |
32 | DEH | 0.9041 |
33 | MT6 | 0.9040 |
34 | CDJ | 0.9032 |
35 | W8L | 0.9024 |
36 | LI4 | 0.9023 |
37 | E8Z | 0.9018 |
38 | VT3 | 0.9014 |
39 | E98 | 0.9008 |
40 | M3W | 0.9005 |
41 | FUN | 0.9004 |
42 | 40N | 0.9002 |
43 | D64 | 0.8999 |
44 | 1HP | 0.8998 |
45 | BER | 0.8998 |
46 | H2W | 0.8997 |
47 | S9T | 0.8997 |
48 | 3G5 | 0.8995 |
49 | DH2 | 0.8990 |
50 | LI7 | 0.8988 |
51 | EBB | 0.8986 |
52 | 0DJ | 0.8983 |
53 | IRH | 0.8981 |
54 | SCE | 0.8974 |
55 | MYC | 0.8974 |
56 | RGK | 0.8971 |
57 | 1R5 | 0.8969 |
58 | 97K | 0.8968 |
59 | AGI | 0.8968 |
60 | UI2 | 0.8964 |
61 | 35K | 0.8959 |
62 | 6B5 | 0.8955 |
63 | DN8 | 0.8952 |
64 | NAR | 0.8949 |
65 | O9Z | 0.8946 |
66 | 08C | 0.8945 |
67 | 2WF | 0.8945 |
68 | O9Q | 0.8943 |
69 | FNA | 0.8940 |
70 | 3F4 | 0.8936 |
71 | DFV | 0.8935 |
72 | 43G | 0.8934 |
73 | 5WW | 0.8933 |
74 | 58N | 0.8933 |
75 | KMP | 0.8930 |
76 | 6BK | 0.8928 |
77 | JKN | 0.8926 |
78 | SAK | 0.8924 |
79 | UV4 | 0.8920 |
80 | O9T | 0.8919 |
81 | SLX | 0.8917 |
82 | SZ5 | 0.8915 |
83 | JTF | 0.8900 |
84 | T5J | 0.8896 |
85 | 1UT | 0.8895 |
86 | HWB | 0.8891 |
87 | 5ZM | 0.8888 |
88 | IYX | 0.8888 |
89 | 6JP | 0.8888 |
90 | 6JO | 0.8888 |
91 | 1V4 | 0.8888 |
92 | BJ4 | 0.8883 |
93 | D4O | 0.8883 |
94 | J8G | 0.8882 |
95 | 25F | 0.8881 |
96 | DFL | 0.8876 |
97 | GEN | 0.8876 |
98 | SGW | 0.8872 |
99 | GW9 | 0.8870 |
100 | 49J | 0.8868 |
101 | 20D | 0.8866 |
102 | 1Q4 | 0.8865 |
103 | GOW | 0.8860 |
104 | NKI | 0.8856 |
105 | T61 | 0.8855 |
106 | 0H5 | 0.8853 |
107 | QEI | 0.8853 |
108 | K97 | 0.8845 |
109 | 1V8 | 0.8844 |
110 | 6FX | 0.8843 |
111 | UNM | 0.8842 |
112 | A63 | 0.8842 |
113 | 797 | 0.8840 |
114 | CWE | 0.8836 |
115 | 1V3 | 0.8834 |
116 | DX6 | 0.8831 |
117 | 5NN | 0.8830 |
118 | 5XM | 0.8829 |
119 | QS4 | 0.8824 |
120 | F91 | 0.8821 |
121 | 3DL | 0.8820 |
122 | 27F | 0.8818 |
123 | 91F | 0.8812 |
124 | 6QX | 0.8811 |
125 | AV7 | 0.8810 |
126 | 1UZ | 0.8808 |
127 | 0MB | 0.8806 |
128 | 3Q1 | 0.8805 |
129 | CUE | 0.8805 |
130 | 7G2 | 0.8805 |
131 | 1UR | 0.8803 |
132 | H0V | 0.8798 |
133 | HAN | 0.8794 |
134 | WLH | 0.8794 |
135 | 4JV | 0.8792 |
136 | 3WK | 0.8790 |
137 | 8M5 | 0.8789 |
138 | 3GX | 0.8789 |
139 | J8D | 0.8788 |
140 | TH1 | 0.8785 |
141 | 6DQ | 0.8783 |
142 | 2ZI | 0.8777 |
143 | 1V1 | 0.8776 |
144 | WUL | 0.8776 |
145 | IMK | 0.8775 |
146 | JYM | 0.8773 |
147 | 5EZ | 0.8770 |
148 | 018 | 0.8768 |
149 | 6XR | 0.8766 |
150 | DLZ | 0.8765 |
151 | 0RU | 0.8765 |
152 | A73 | 0.8765 |
153 | F0C | 0.8764 |
154 | U4J | 0.8763 |
155 | YJX | 0.8763 |
156 | IY5 | 0.8759 |
157 | 74Z | 0.8759 |
158 | UAY | 0.8758 |
159 | 6ZM | 0.8757 |
160 | GQZ | 0.8755 |
161 | BRY | 0.8755 |
162 | ZAR | 0.8754 |
163 | 0DF | 0.8753 |
164 | MHB | 0.8750 |
165 | O53 | 0.8748 |
166 | F13 | 0.8742 |
167 | GQE | 0.8742 |
168 | F36 | 0.8736 |
169 | 9MK | 0.8736 |
170 | EFT | 0.8735 |
171 | NIF | 0.8734 |
172 | EEY | 0.8733 |
173 | 499 | 0.8733 |
174 | ECZ | 0.8727 |
175 | 3Q2 | 0.8726 |
176 | D9Q | 0.8724 |
177 | PIQ | 0.8720 |
178 | 21E | 0.8719 |
179 | TVZ | 0.8719 |
180 | RDL | 0.8717 |
181 | W2E | 0.8717 |
182 | NQK | 0.8716 |
183 | 4ZF | 0.8710 |
184 | DX2 | 0.8708 |
185 | 5E2 | 0.8708 |
186 | JV5 | 0.8704 |
187 | 9ME | 0.8702 |
188 | EMU | 0.8699 |
189 | B7H | 0.8698 |
190 | 020 | 0.8693 |
191 | AX1 | 0.8691 |
192 | T21 | 0.8690 |
193 | 23M | 0.8690 |
194 | 9X0 | 0.8689 |
195 | 1V0 | 0.8687 |
196 | F40 | 0.8685 |
197 | XEV | 0.8683 |
198 | WG8 | 0.8682 |
199 | NU3 | 0.8680 |
200 | QDR | 0.8678 |
201 | RF2 | 0.8678 |
202 | 3AK | 0.8677 |
203 | 1CE | 0.8677 |
204 | 55H | 0.8677 |
205 | 29F | 0.8677 |
206 | ECS | 0.8676 |
207 | MBT | 0.8674 |
208 | 7SB | 0.8673 |
209 | 80R | 0.8671 |
210 | 06R | 0.8669 |
211 | 7BH | 0.8669 |
212 | BUX | 0.8666 |
213 | 2BI | 0.8664 |
214 | B4L | 0.8663 |
215 | KTM | 0.8662 |
216 | MRI | 0.8662 |
217 | QUG | 0.8659 |
218 | 57D | 0.8659 |
219 | 69W | 0.8656 |
220 | E7E | 0.8653 |
221 | GBJ | 0.8653 |
222 | 108 | 0.8652 |
223 | HMO | 0.8651 |
224 | NYJ | 0.8646 |
225 | 6F3 | 0.8645 |
226 | 4P9 | 0.8644 |
227 | A64 | 0.8642 |
228 | 8IP | 0.8642 |
229 | P34 | 0.8637 |
230 | 31F | 0.8636 |
231 | FO2 | 0.8630 |
232 | 9Y1 | 0.8628 |
233 | GT2 | 0.8626 |
234 | G2V | 0.8616 |
235 | DDC | 0.8615 |
236 | NPZ | 0.8615 |
237 | 8EQ | 0.8615 |
238 | F08 | 0.8614 |
239 | 9CE | 0.8614 |
240 | LZ7 | 0.8612 |
241 | ESM | 0.8611 |
242 | 4K2 | 0.8607 |
243 | L02 | 0.8604 |
244 | BBP | 0.8601 |
245 | 9RK | 0.8601 |
246 | 3JC | 0.8598 |
247 | OUA | 0.8592 |
248 | BIT | 0.8589 |
249 | 1GV | 0.8587 |
250 | XAV | 0.8585 |
251 | DX8 | 0.8584 |
252 | P4L | 0.8581 |
253 | 8RK | 0.8577 |
254 | Q12 | 0.8576 |
255 | Q5M | 0.8574 |
256 | 3RH | 0.8572 |
257 | JHY | 0.8570 |
258 | 1BJ | 0.8568 |
259 | 555 | 0.8566 |
260 | ATU | 0.8565 |
261 | 90G | 0.8555 |
262 | 9C8 | 0.8554 |
263 | AIQ | 0.8554 |
264 | VM7 | 0.8553 |
265 | L2K | 0.8543 |
266 | LWS | 0.8539 |
267 | FYE | 0.8532 |
268 | 5P7 | 0.8530 |
269 | OUG | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 6ie8.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6ie8.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |