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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 | 4V2Z | - | Y70 | C13 H11 N3 O4 | c1cc2c(c(c.... |
2 | 6R11 | Ki = 12 uM | JOB | C12 H9 N3 O4 | c1cc2c(cc1.... |
3 | 5AMJ | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
4 | 6R0V | - | JO2 | C12 H9 N3 O7 | c1cc(c(cc1.... |
5 | 6R19 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
6 | 6R0U | - | JO8 | C12 H11 N3 O5 | c1cc(c(c(c.... |
7 | 6R0Q | - | JNW | C13 H12 N2 O5 | c1ccc(c(c1.... |
8 | 6R0S | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
9 | 6R12 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
10 | 6R1C | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
11 | 6R1X | - | JPQ | C9 H12 N2 O3 | CC(=CC(=O).... |
12 | 6R1K | Ki = 9 uM | JPB | C11 H7 Cl3 N2 O3 | c1c(cc(c(c.... |
13 | 4V2Y | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
14 | 5AMI | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
15 | 6R1A | - | JP8 | C11 H17 N3 O4 | C1C[C@@H](.... |
16 | 6R1D | Ki = 4 uM | JP5 | C12 H12 N2 O4 | c1ccc(cc1).... |
17 | 4V30 | - | LVY | C13 H13 N3 O3 | c1cc2c(c(c.... |
18 | 6R18 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
19 | 4V32 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
20 | 6R13 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
21 | 6R1W | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
22 | 5AMH | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
23 | 4V31 | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4V2Z | - | Y70 | C13 H11 N3 O4 | c1cc2c(c(c.... |
2 | 6R11 | Ki = 12 uM | JOB | C12 H9 N3 O4 | c1cc2c(cc1.... |
3 | 5AMJ | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
4 | 6R0V | - | JO2 | C12 H9 N3 O7 | c1cc(c(cc1.... |
5 | 6R19 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
6 | 6R0U | - | JO8 | C12 H11 N3 O5 | c1cc(c(c(c.... |
7 | 6R0Q | - | JNW | C13 H12 N2 O5 | c1ccc(c(c1.... |
8 | 6R0S | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
9 | 6R12 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
10 | 6R1C | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
11 | 6R1X | - | JPQ | C9 H12 N2 O3 | CC(=CC(=O).... |
12 | 6R1K | Ki = 9 uM | JPB | C11 H7 Cl3 N2 O3 | c1c(cc(c(c.... |
13 | 4V2Y | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
14 | 5AMI | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
15 | 6R1A | - | JP8 | C11 H17 N3 O4 | C1C[C@@H](.... |
16 | 6R1D | Ki = 4 uM | JP5 | C12 H12 N2 O4 | c1ccc(cc1).... |
17 | 4V30 | - | LVY | C13 H13 N3 O3 | c1cc2c(c(c.... |
18 | 6R18 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
19 | 4V32 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
20 | 6R13 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
21 | 6R1W | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
22 | 5AMH | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
23 | 4V31 | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | H4B | 1.0000 |
2 | JO5 | 0.9631 |
3 | TGW | 0.9548 |
4 | JOB | 0.9541 |
5 | 0OK | 0.9536 |
6 | H75 | 0.9443 |
7 | KW7 | 0.9428 |
8 | J84 | 0.9426 |
9 | EES | 0.9377 |
10 | EI1 | 0.9357 |
11 | 789 | 0.9354 |
12 | 6WR | 0.9351 |
13 | GEN | 0.9329 |
14 | Q0K | 0.9313 |
15 | 4NR | 0.9312 |
16 | 5OR | 0.9294 |
17 | TC8 | 0.9275 |
18 | IQW | 0.9272 |
19 | A4T | 0.9239 |
20 | 397 | 0.9238 |
21 | 4EU | 0.9222 |
22 | J27 | 0.9218 |
23 | 38B | 0.9215 |
24 | 47X | 0.9214 |
25 | 2P3 | 0.9208 |
26 | A4N | 0.9194 |
27 | 9FH | 0.9176 |
28 | OA4 | 0.9171 |
29 | 9FG | 0.9166 |
30 | 7EL | 0.9152 |
31 | QME | 0.9149 |
32 | DFL | 0.9148 |
33 | C2M | 0.9147 |
34 | 26C | 0.9147 |
35 | S0G | 0.9141 |
36 | KMP | 0.9135 |
37 | XIF XYP | 0.9132 |
38 | AUT | 0.9131 |
39 | CP6 | 0.9126 |
40 | CC5 | 0.9126 |
41 | XYP XIF | 0.9126 |
42 | ADN | 0.9119 |
43 | NYJ | 0.9115 |
44 | 8D6 | 0.9108 |
45 | 4MP | 0.9106 |
46 | 1CY | 0.9105 |
47 | WCU | 0.9105 |
48 | 27M | 0.9097 |
49 | KP2 | 0.9096 |
50 | 7L4 | 0.9095 |
51 | STZ | 0.9094 |
52 | YX1 | 0.9094 |
53 | XYP XYP | 0.9094 |
54 | 2JX | 0.9089 |
55 | TCL | 0.9088 |
56 | A4Q | 0.9086 |
57 | AJ6 | 0.9085 |
58 | 15Q | 0.9077 |
59 | 3WJ | 0.9076 |
60 | 1HP | 0.9076 |
61 | 7EH | 0.9074 |
62 | 6DQ | 0.9070 |
63 | MEX | 0.9064 |
64 | PQS | 0.9061 |
65 | AU8 | 0.9059 |
66 | JFS | 0.9058 |
67 | FCW | 0.9055 |
68 | C93 | 0.9053 |
69 | XYS XYS | 0.9052 |
70 | KF5 | 0.9052 |
71 | 1SF | 0.9051 |
72 | TRP | 0.9047 |
73 | FMQ | 0.9045 |
74 | 42R | 0.9041 |
75 | AGI | 0.9040 |
76 | BGN | 0.9038 |
77 | 6DE | 0.9034 |
78 | 5DE | 0.9034 |
79 | 3QI | 0.9029 |
80 | 5AD | 0.9025 |
81 | 64I | 0.9019 |
82 | A5K | 0.9014 |
83 | PZ8 | 0.9014 |
84 | 5VU | 0.9013 |
85 | AJ4 | 0.9006 |
86 | LZJ | 0.8997 |
87 | 54E | 0.8989 |
88 | H7S | 0.8988 |
89 | ARJ | 0.8986 |
90 | NOC | 0.8986 |
91 | A9K | 0.8979 |
92 | 22L | 0.8974 |
93 | 1A5 | 0.8973 |
94 | 3UG | 0.8971 |
95 | CU8 | 0.8966 |
96 | XIL | 0.8966 |
97 | 5C1 | 0.8961 |
98 | HMO | 0.8958 |
99 | 9JT | 0.8958 |
100 | EV2 | 0.8956 |
101 | 72E | 0.8955 |
102 | PQM | 0.8952 |
103 | 3DE | 0.8951 |
104 | XYP XDN | 0.8946 |
105 | XYP XYS | 0.8946 |
106 | 51Y | 0.8944 |
107 | D64 | 0.8937 |
108 | 7FZ | 0.8935 |
109 | FHI | 0.8934 |
110 | 5FD | 0.8934 |
111 | EAT | 0.8934 |
112 | XDN XYP | 0.8933 |
113 | CUT | 0.8931 |
114 | 1FL | 0.8924 |
115 | TCC | 0.8922 |
116 | 7G0 | 0.8921 |
117 | XDL XYP | 0.8920 |
118 | 7G1 | 0.8918 |
119 | FB4 | 0.8914 |
120 | GFE | 0.8910 |
121 | NAL | 0.8909 |
122 | 5I5 | 0.8909 |
123 | 3WK | 0.8908 |
124 | AFX | 0.8906 |
125 | Y3J | 0.8906 |
126 | 92O | 0.8904 |
127 | LP8 | 0.8902 |
128 | DFV | 0.8901 |
129 | 0DF | 0.8900 |
130 | CBE | 0.8900 |
131 | HBI | 0.8899 |
132 | W23 | 0.8899 |
133 | 96Z | 0.8896 |
134 | 5S9 | 0.8893 |
135 | H2B | 0.8891 |
136 | 0J4 | 0.8884 |
137 | G14 | 0.8881 |
138 | LU2 | 0.8881 |
139 | 1Q4 | 0.8877 |
140 | IMH | 0.8876 |
141 | ZTW | 0.8875 |
142 | BHS | 0.8873 |
143 | 4AB | 0.8873 |
144 | 7GY | 0.8872 |
145 | XYS XYP | 0.8870 |
146 | AOJ | 0.8869 |
147 | KWB | 0.8866 |
148 | OSP | 0.8865 |
149 | CUH | 0.8865 |
150 | 3JC | 0.8865 |
151 | RFZ | 0.8861 |
152 | L1T | 0.8854 |
153 | DKX | 0.8853 |
154 | FT1 | 0.8851 |
155 | BMC | 0.8843 |
156 | DK4 | 0.8842 |
157 | CJB | 0.8841 |
158 | 4DE | 0.8840 |
159 | DKZ | 0.8837 |
160 | 4AF | 0.8836 |
161 | CP7 | 0.8835 |
162 | FY8 | 0.8831 |
163 | 9KZ | 0.8830 |
164 | Y0V | 0.8829 |
165 | AVX | 0.8827 |
166 | FT6 | 0.8825 |
167 | 40N | 0.8825 |
168 | AUV | 0.8825 |
169 | 5UD | 0.8824 |
170 | AWE | 0.8824 |
171 | GPK | 0.8823 |
172 | NE1 | 0.8823 |
173 | C4E | 0.8822 |
174 | 8OB | 0.8820 |
175 | FMC | 0.8820 |
176 | 5CK | 0.8820 |
177 | JSX | 0.8819 |
178 | 2GQ | 0.8817 |
179 | 4L2 | 0.8815 |
180 | ESE | 0.8813 |
181 | A7K | 0.8811 |
182 | 16Z | 0.8810 |
183 | 57D | 0.8808 |
184 | 5CD | 0.8807 |
185 | X29 | 0.8807 |
186 | NAR | 0.8806 |
187 | TI7 | 0.8805 |
188 | 0FR | 0.8802 |
189 | RSV | 0.8800 |
190 | B52 | 0.8795 |
191 | GPQ | 0.8793 |
192 | Z15 | 0.8787 |
193 | BIO | 0.8783 |
194 | A18 | 0.8783 |
195 | C5Q | 0.8780 |
196 | MZR | 0.8776 |
197 | M77 | 0.8776 |
198 | WVV | 0.8773 |
199 | FPL | 0.8773 |
200 | 3WL | 0.8768 |
201 | RAB | 0.8768 |
202 | CX5 | 0.8767 |
203 | SJK | 0.8765 |
204 | RKN | 0.8764 |
205 | 3AD | 0.8762 |
206 | 1GM | 0.8760 |
207 | L3L | 0.8760 |
208 | MTA | 0.8759 |
209 | 7QV | 0.8757 |
210 | Z57 | 0.8755 |
211 | KXN | 0.8755 |
212 | P2L | 0.8754 |
213 | FT3 | 0.8752 |
214 | GPU | 0.8752 |
215 | H52 | 0.8751 |
216 | NOS | 0.8750 |
217 | NIY | 0.8750 |
218 | GJB | 0.8749 |
219 | A4D | 0.8749 |
220 | MJ5 | 0.8747 |
221 | AD3 | 0.8747 |
222 | 7R7 | 0.8746 |
223 | M2E | 0.8744 |
224 | CTN | 0.8744 |
225 | 2L2 | 0.8741 |
226 | MQR | 0.8741 |
227 | F5F | 0.8739 |
228 | BP3 | 0.8737 |
229 | GJG | 0.8736 |
230 | TBN | 0.8736 |
231 | FMB | 0.8732 |
232 | 5N5 | 0.8731 |
233 | 78U | 0.8730 |
234 | 5F1 | 0.8729 |
235 | EST | 0.8727 |
236 | LOT | 0.8727 |
237 | B2L | 0.8725 |
238 | NVS | 0.8724 |
239 | CWE | 0.8724 |
240 | CTE | 0.8721 |
241 | BC5 | 0.8721 |
242 | 6QT | 0.8721 |
243 | DBE | 0.8720 |
244 | 6WU | 0.8720 |
245 | A4B | 0.8719 |
246 | 2L1 | 0.8717 |
247 | MQ1 | 0.8716 |
248 | 4K2 | 0.8713 |
249 | 1OT | 0.8711 |
250 | FM2 | 0.8707 |
251 | U4J | 0.8703 |
252 | 0ON | 0.8702 |
253 | 3WN | 0.8700 |
254 | 3WO | 0.8700 |
255 | VIB | 0.8699 |
256 | 0J2 | 0.8697 |
257 | Q4G | 0.8695 |
258 | TYP | 0.8695 |
259 | 68B | 0.8693 |
260 | Q8G | 0.8693 |
261 | Q8D | 0.8690 |
262 | RVD | 0.8689 |
263 | A8Q | 0.8688 |
264 | 50C | 0.8687 |
265 | BPY | 0.8686 |
266 | AUG | 0.8684 |
267 | VJJ | 0.8681 |
268 | MIL | 0.8680 |
269 | JOH | 0.8680 |
270 | BG8 | 0.8678 |
271 | FM1 | 0.8674 |
272 | RPP | 0.8674 |
273 | 0X2 | 0.8671 |
274 | 6MD | 0.8671 |
275 | 3AK | 0.8671 |
276 | 3L1 | 0.8669 |
277 | A6H | 0.8668 |
278 | EZB | 0.8665 |
279 | A | 0.8663 |
280 | 1DA | 0.8662 |
281 | FWD | 0.8662 |
282 | AVA | 0.8659 |
283 | 89J | 0.8659 |
284 | K80 | 0.8658 |
285 | S1D | 0.8657 |
286 | DCN | 0.8656 |
287 | FT2 | 0.8653 |
288 | 3D1 | 0.8651 |
289 | 4FC | 0.8650 |
290 | AUE | 0.8647 |
291 | JA3 | 0.8643 |
292 | CH8 | 0.8642 |
293 | 72D | 0.8642 |
294 | RVB | 0.8641 |
295 | U3P | 0.8639 |
296 | QUE | 0.8639 |
297 | EQU | 0.8633 |
298 | 35G | 0.8633 |
299 | K48 | 0.8632 |
300 | GF7 | 0.8630 |
301 | CWD | 0.8630 |
302 | 5NB | 0.8629 |
303 | J47 | 0.8627 |
304 | 26A | 0.8623 |
305 | CX6 | 0.8622 |
306 | H4B NO | 0.8621 |
307 | DBS | 0.8617 |
308 | 7VF | 0.8617 |
309 | VBC | 0.8612 |
310 | GMP | 0.8609 |
311 | 458 | 0.8608 |
312 | KMY | 0.8603 |
313 | 8OE | 0.8601 |
314 | CMP | 0.8599 |
315 | NWD | 0.8598 |
316 | 0OL | 0.8595 |
317 | 3BH | 0.8595 |
318 | PRH | 0.8592 |
319 | 7M5 | 0.8586 |
320 | ESZ | 0.8584 |
321 | BP6 | 0.8576 |
322 | IMK | 0.8575 |
323 | NXB | 0.8572 |
324 | 9H2 | 0.8571 |
325 | TMC | 0.8569 |
326 | 2FA | 0.8551 |
327 | MTP | 0.8551 |
328 | OSY | 0.8550 |
329 | 5ID | 0.8550 |
330 | 205 | 0.8550 |
331 | 4FP | 0.8546 |
332 | ZAR | 0.8544 |
333 | 5CQ | 0.8540 |
334 | URI | 0.8538 |
335 | BWD | 0.8536 |
336 | XEV | 0.8528 |
337 | 3NF | 0.8526 |
338 | CHQ | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 6r1d.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6r1d.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |