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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 2CC7 | Kd = 9.88 nM | LUM | C12 H10 N4 O2 | Cc1cc2c(cc.... |
2 | 2CCB | Kd = 35.76 nM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
3 | 2CCC | Kd = 17.57 nM | LFN | C13 H12 N4 O2 | Cc1cc2c(cc.... |
4 | 2VX9 | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
5 | 2CIE | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
6 | 1MOG | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
7 | 2VKG | - | CF4 | C17 H19 N5 O4 | Cc1cc2c(cc.... |
8 | 2CJC | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 2CC6 | Kd = 9.88 nM | LUM | C12 H10 N4 O2 | Cc1cc2c(cc.... |
10 | 2CC8 | Kd = 35.76 nM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
11 | 2VKF | - | CF2 | C25 H26 N10 O7 | Cc1cc2c(cc.... |
12 | 4B2H | - | C3F | C16 H17 N5 O4 | Cc1cc2c(cc.... |
13 | 4B2J | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
14 | 4B2M | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
15 | 4B2K | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 2CC7 | Kd = 9.88 nM | LUM | C12 H10 N4 O2 | Cc1cc2c(cc.... |
2 | 2CCB | Kd = 35.76 nM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
3 | 2CCC | Kd = 17.57 nM | LFN | C13 H12 N4 O2 | Cc1cc2c(cc.... |
4 | 2VX9 | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
5 | 2CIE | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
6 | 1MOG | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
7 | 2VKG | - | CF4 | C17 H19 N5 O4 | Cc1cc2c(cc.... |
8 | 2CJC | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 2CC6 | Kd = 9.88 nM | LUM | C12 H10 N4 O2 | Cc1cc2c(cc.... |
10 | 2CC8 | Kd = 35.76 nM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
11 | 2VKF | - | CF2 | C25 H26 N10 O7 | Cc1cc2c(cc.... |
12 | 2YIZ | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 4B2H | - | C3F | C16 H17 N5 O4 | Cc1cc2c(cc.... |
14 | 4B2J | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
15 | 4B2M | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
16 | 4B2K | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
17 | 2V21 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
18 | 2UX9 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LUM | 0.9881 |
2 | NRA | 0.9611 |
3 | 1DR | 0.9554 |
4 | EMO | 0.9505 |
5 | ZSP | 0.9479 |
6 | H4B | 0.9466 |
7 | PRL | 0.9391 |
8 | DNQ | 0.9389 |
9 | JRO | 0.9365 |
10 | 3J8 | 0.9330 |
11 | 9TF | 0.9294 |
12 | 8SK | 0.9292 |
13 | 2WU | 0.9285 |
14 | CNI | 0.9271 |
15 | 2J1 | 0.9265 |
16 | S98 | 0.9260 |
17 | FQX | 0.9238 |
18 | 1EL | 0.9232 |
19 | 2QU | 0.9221 |
20 | TXQ | 0.9217 |
21 | S60 | 0.9215 |
22 | THA | 0.9212 |
23 | 6QF | 0.9208 |
24 | E1K | 0.9205 |
25 | IQZ | 0.9202 |
26 | ANC | 0.9201 |
27 | DX2 | 0.9196 |
28 | GEN | 0.9189 |
29 | M3F | 0.9184 |
30 | BIO | 0.9173 |
31 | X2M | 0.9171 |
32 | CZ0 | 0.9167 |
33 | 6FB | 0.9166 |
34 | N0Z | 0.9165 |
35 | HRD | 0.9157 |
36 | Q0K | 0.9157 |
37 | VUP | 0.9150 |
38 | II4 | 0.9150 |
39 | JWS | 0.9148 |
40 | ITE | 0.9145 |
41 | 0SY | 0.9144 |
42 | BGU | 0.9141 |
43 | AP6 | 0.9130 |
44 | ANF | 0.9113 |
45 | 5AD | 0.9112 |
46 | AA | 0.9109 |
47 | 537 | 0.9106 |
48 | 5NN | 0.9104 |
49 | ZRK | 0.9102 |
50 | DPT | 0.9099 |
51 | 5V7 | 0.9096 |
52 | 5E5 | 0.9090 |
53 | HBI | 0.9086 |
54 | EQU | 0.9079 |
55 | Z21 | 0.9078 |
56 | RHN | 0.9072 |
57 | EAE | 0.9071 |
58 | 8MO | 0.9067 |
59 | 19E | 0.9065 |
60 | HRM | 0.9055 |
61 | 5TY | 0.9050 |
62 | DX7 | 0.9049 |
63 | 5OR | 0.9048 |
64 | 9CE | 0.9042 |
65 | 1YL | 0.9041 |
66 | PIQ | 0.9035 |
67 | PK3 | 0.9029 |
68 | H70 | 0.9020 |
69 | EES | 0.9019 |
70 | WS6 | 0.9017 |
71 | 18E | 0.9009 |
72 | WS7 | 0.9008 |
73 | 344 | 0.9002 |
74 | F40 | 0.9001 |
75 | OLU | 0.9000 |
76 | 6TJ | 0.8997 |
77 | 5WT | 0.8994 |
78 | CUE | 0.8993 |
79 | NKI | 0.8993 |
80 | IA2 | 0.8992 |
81 | IDZ | 0.8989 |
82 | 4CN | 0.8976 |
83 | IXM | 0.8967 |
84 | RGK | 0.8966 |
85 | JF8 | 0.8965 |
86 | E2Q | 0.8964 |
87 | 3WL | 0.8963 |
88 | EST | 0.8962 |
89 | UAY | 0.8960 |
90 | B56 | 0.8959 |
91 | CX6 | 0.8959 |
92 | 2K8 | 0.8955 |
93 | 2JK | 0.8955 |
94 | NEU | 0.8954 |
95 | 5XL | 0.8949 |
96 | 2MQ | 0.8945 |
97 | CHQ | 0.8944 |
98 | HHS | 0.8939 |
99 | 0NJ | 0.8939 |
100 | 27M | 0.8938 |
101 | MFR | 0.8931 |
102 | HNT | 0.8928 |
103 | ZRL | 0.8928 |
104 | 6ZE | 0.8927 |
105 | NDD | 0.8923 |
106 | B61 | 0.8922 |
107 | JY4 | 0.8918 |
108 | JTA | 0.8914 |
109 | WLH | 0.8912 |
110 | 68A | 0.8911 |
111 | QIV | 0.8906 |
112 | 2GQ | 0.8906 |
113 | MR6 | 0.8905 |
114 | MR4 | 0.8905 |
115 | 1V1 | 0.8905 |
116 | OA4 | 0.8900 |
117 | 39Z | 0.8900 |
118 | NOM | 0.8900 |
119 | GNV | 0.8898 |
120 | A73 | 0.8898 |
121 | 1V3 | 0.8898 |
122 | 20D | 0.8895 |
123 | DFL | 0.8893 |
124 | DT7 | 0.8891 |
125 | GNG | 0.8890 |
126 | 30G | 0.8890 |
127 | 6ZW | 0.8889 |
128 | AQN | 0.8888 |
129 | DXK | 0.8888 |
130 | 3GX | 0.8888 |
131 | BIK | 0.8888 |
132 | TCR | 0.8888 |
133 | K7H | 0.8887 |
134 | DRG | 0.8885 |
135 | AN3 | 0.8884 |
136 | HWB | 0.8879 |
137 | AMR | 0.8877 |
138 | 0UL | 0.8873 |
139 | BMZ | 0.8872 |
140 | 3Y7 | 0.8869 |
141 | CR4 | 0.8868 |
142 | LL1 | 0.8867 |
143 | 0FR | 0.8867 |
144 | ZHA | 0.8862 |
145 | W8L | 0.8860 |
146 | GNM | 0.8857 |
147 | CDJ | 0.8854 |
148 | TIY | 0.8853 |
149 | KLV | 0.8849 |
150 | WUB | 0.8849 |
151 | BA5 | 0.8848 |
152 | J3Z | 0.8847 |
153 | 9KZ | 0.8847 |
154 | BHS | 0.8847 |
155 | A5Q | 0.8845 |
156 | 3D1 | 0.8842 |
157 | 7AP | 0.8840 |
158 | YE7 | 0.8837 |
159 | X48 | 0.8837 |
160 | 4AB | 0.8836 |
161 | S0D | 0.8835 |
162 | BRY | 0.8828 |
163 | ADL | 0.8824 |
164 | 120 | 0.8823 |
165 | M3W | 0.8819 |
166 | XCG | 0.8819 |
167 | NYJ | 0.8816 |
168 | 79X | 0.8816 |
169 | MNY | 0.8816 |
170 | 2QV | 0.8814 |
171 | 697 | 0.8812 |
172 | 0DF | 0.8812 |
173 | XYP XYP | 0.8805 |
174 | 1FL | 0.8805 |
175 | 25F | 0.8804 |
176 | E9L | 0.8803 |
177 | H2W | 0.8802 |
178 | QUE | 0.8802 |
179 | ASD | 0.8801 |
180 | BPY | 0.8798 |
181 | 3D8 | 0.8797 |
182 | 5VU | 0.8795 |
183 | 3QV | 0.8795 |
184 | H2B | 0.8795 |
185 | 8G6 | 0.8794 |
186 | 5SJ | 0.8792 |
187 | 2PV | 0.8790 |
188 | 272 | 0.8788 |
189 | RDT | 0.8788 |
190 | P4T | 0.8783 |
191 | 6BK | 0.8781 |
192 | REF | 0.8779 |
193 | 1V8 | 0.8778 |
194 | KMP | 0.8778 |
195 | TMG | 0.8777 |
196 | 1V4 | 0.8776 |
197 | 8M5 | 0.8775 |
198 | LOT | 0.8774 |
199 | AZN | 0.8772 |
200 | A63 | 0.8772 |
201 | NEO | 0.8769 |
202 | N91 | 0.8768 |
203 | X0U | 0.8768 |
204 | 4AU | 0.8766 |
205 | 833 | 0.8763 |
206 | WG8 | 0.8763 |
207 | 26C | 0.8759 |
208 | DK1 | 0.8759 |
209 | MNX | 0.8758 |
210 | WV7 | 0.8757 |
211 | DHT | 0.8755 |
212 | H32 | 0.8754 |
213 | 2PK | 0.8753 |
214 | XTS | 0.8753 |
215 | 801 | 0.8749 |
216 | H5B | 0.8748 |
217 | 1WO | 0.8748 |
218 | KF5 | 0.8746 |
219 | YZ9 | 0.8745 |
220 | K44 | 0.8742 |
221 | R18 | 0.8740 |
222 | AGI | 0.8740 |
223 | B52 | 0.8740 |
224 | PE2 | 0.8740 |
225 | 1HN | 0.8739 |
226 | DNA | 0.8737 |
227 | 041 | 0.8736 |
228 | 3VX | 0.8734 |
229 | 4HG | 0.8731 |
230 | JP2 | 0.8729 |
231 | P4L | 0.8725 |
232 | ESZ | 0.8723 |
233 | 3L1 | 0.8723 |
234 | SZ5 | 0.8721 |
235 | GNY | 0.8721 |
236 | 3VQ | 0.8721 |
237 | V1T | 0.8720 |
238 | HNA | 0.8720 |
239 | 5SD | 0.8719 |
240 | 38E | 0.8718 |
241 | MR5 | 0.8716 |
242 | TES | 0.8716 |
243 | BZJ | 0.8715 |
244 | 397 | 0.8711 |
245 | XM5 | 0.8710 |
246 | CL9 | 0.8709 |
247 | 2P3 | 0.8709 |
248 | DT9 | 0.8707 |
249 | 92O | 0.8707 |
250 | FF2 | 0.8705 |
251 | 5GV | 0.8705 |
252 | VT3 | 0.8704 |
253 | 113 | 0.8703 |
254 | CKA | 0.8700 |
255 | 6VW | 0.8700 |
256 | GJP | 0.8700 |
257 | FNT | 0.8698 |
258 | LU2 | 0.8694 |
259 | 96U | 0.8690 |
260 | OTA | 0.8687 |
261 | 2D2 | 0.8683 |
262 | A9B | 0.8680 |
263 | Y3L | 0.8679 |
264 | KMY | 0.8679 |
265 | RSV | 0.8675 |
266 | OAL | 0.8675 |
267 | 9OF | 0.8674 |
268 | 4RU | 0.8673 |
269 | 47V | 0.8670 |
270 | 3F4 | 0.8670 |
271 | COL | 0.8664 |
272 | 78Y | 0.8663 |
273 | 121 | 0.8662 |
274 | FXE | 0.8660 |
275 | 124 | 0.8660 |
276 | 8DA | 0.8658 |
277 | ESR | 0.8656 |
278 | 4I8 | 0.8656 |
279 | 1XS | 0.8655 |
280 | 1QV | 0.8654 |
281 | 2AN | 0.8654 |
282 | ZYR | 0.8654 |
283 | 3VS | 0.8653 |
284 | 17M | 0.8650 |
285 | 4KL | 0.8649 |
286 | CC6 | 0.8648 |
287 | E6Q | 0.8647 |
288 | BJ4 | 0.8637 |
289 | GLC GAL | 0.8636 |
290 | FYR | 0.8635 |
291 | AOX | 0.8631 |
292 | HH6 | 0.8630 |
293 | AJY | 0.8630 |
294 | X11 | 0.8630 |
295 | AH6 | 0.8630 |
296 | 3Q0 | 0.8628 |
297 | ADN | 0.8624 |
298 | MD6 | 0.8621 |
299 | F5C | 0.8618 |
300 | 363 | 0.8613 |
301 | AO | 0.8608 |
302 | O9T | 0.8607 |
303 | PEY | 0.8605 |
304 | SGW | 0.8604 |
305 | HFT | 0.8602 |
306 | K25 | 0.8602 |
307 | M78 | 0.8599 |
308 | 1ZC | 0.8599 |
309 | IIH | 0.8597 |
310 | 7FZ | 0.8597 |
311 | C4E | 0.8592 |
312 | 62D | 0.8589 |
313 | U13 | 0.8583 |
314 | 609 | 0.8582 |
315 | ESL | 0.8580 |
316 | THM | 0.8561 |
317 | 34L | 0.8559 |
318 | B21 | 0.8557 |
319 | 4UM | 0.8555 |
320 | DBQ | 0.8550 |
321 | ALR | 0.8540 |
322 | 1YE | 0.8538 |
323 | AOM | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 2cc6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |