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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 2 families. | |||||
1 | 4W9N | ic50 = 54.7 uM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4W9N | ic50 = 54.7 uM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TCL | 1 | 1 |
2 | FT3 | 0.666667 | 0.758621 |
3 | FT1 | 0.652174 | 0.916667 |
4 | FT2 | 0.652174 | 0.88 |
5 | JPM | 0.555556 | 0.88 |
6 | FB4 | 0.555556 | 0.709677 |
7 | JPJ | 0.545455 | 0.88 |
8 | JPA | 0.535714 | 0.88 |
9 | JPL | 0.526316 | 0.758621 |
10 | 8PC | 0.517241 | 0.6875 |
11 | DCN | 0.511111 | 1 |
12 | JPN | 0.508475 | 0.846154 |
13 | CH8 | 0.489362 | 1 |
14 | J47 | 0.454545 | 0.814815 |
15 | 43F | 0.418182 | 0.777778 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TCC | 0.9824 |
2 | 8OB | 0.9799 |
3 | 8OE | 0.9787 |
4 | YUG | 0.9734 |
5 | C6Z | 0.9697 |
6 | 27M | 0.9679 |
7 | MJ5 | 0.9548 |
8 | FPL | 0.9523 |
9 | 1SF | 0.9517 |
10 | 4EU | 0.9492 |
11 | JA3 | 0.9459 |
12 | 69K | 0.9447 |
13 | VIB | 0.9385 |
14 | CUT | 0.9376 |
15 | E9P | 0.9362 |
16 | S0F | 0.9357 |
17 | WCU | 0.9342 |
18 | A7Q | 0.9325 |
19 | XIF XYP | 0.9314 |
20 | A6H | 0.9312 |
21 | XYP XYP | 0.9309 |
22 | JFS | 0.9304 |
23 | XYP XIF | 0.9298 |
24 | JPB | 0.9281 |
25 | 9W7 | 0.9275 |
26 | A8K | 0.9269 |
27 | N2Y | 0.9261 |
28 | HX8 | 0.9253 |
29 | DBE | 0.9252 |
30 | LTT | 0.9252 |
31 | LOX XYP | 0.9243 |
32 | M01 | 0.9226 |
33 | SOJ | 0.9214 |
34 | CUH | 0.9212 |
35 | AWE | 0.9212 |
36 | HVE | 0.9196 |
37 | TI7 | 0.9192 |
38 | XYP XDN | 0.9189 |
39 | ERZ | 0.9184 |
40 | H48 | 0.9180 |
41 | AYS | 0.9177 |
42 | EQW | 0.9177 |
43 | AUV | 0.9177 |
44 | A18 | 0.9174 |
45 | EXG | 0.9167 |
46 | TGW | 0.9164 |
47 | P2L | 0.9162 |
48 | F4U | 0.9155 |
49 | CUQ | 0.9150 |
50 | QTV | 0.9148 |
51 | XYS XYS | 0.9143 |
52 | 7VF | 0.9139 |
53 | BXZ | 0.9136 |
54 | LVP | 0.9135 |
55 | 3W1 | 0.9135 |
56 | 3IP | 0.9134 |
57 | 848 | 0.9127 |
58 | 4FP | 0.9125 |
59 | XDN XYP | 0.9122 |
60 | TPM | 0.9121 |
61 | A7K | 0.9120 |
62 | 5R8 | 0.9119 |
63 | XDL XYP | 0.9117 |
64 | XIL | 0.9117 |
65 | URI | 0.9114 |
66 | 2J5 | 0.9100 |
67 | S46 | 0.9096 |
68 | 7QV | 0.9095 |
69 | EF2 | 0.9088 |
70 | 22F | 0.9087 |
71 | 78U | 0.9085 |
72 | 7R4 | 0.9085 |
73 | TRP | 0.9085 |
74 | IWH | 0.9075 |
75 | 2OH | 0.9073 |
76 | 3TC | 0.9064 |
77 | X29 | 0.9062 |
78 | XYP XYS | 0.9061 |
79 | SLY | 0.9055 |
80 | 7ZL | 0.9055 |
81 | 4MP | 0.9055 |
82 | W1G | 0.9051 |
83 | 9W5 | 0.9049 |
84 | KUP | 0.9049 |
85 | FCW | 0.9048 |
86 | JOB | 0.9047 |
87 | CHV | 0.9046 |
88 | FMC | 0.9046 |
89 | PV4 | 0.9043 |
90 | DCZ | 0.9037 |
91 | WL3 | 0.9036 |
92 | 7R7 | 0.9030 |
93 | 16Z | 0.9030 |
94 | YIE | 0.9029 |
95 | XYS AZI XYS | 0.9028 |
96 | LL2 | 0.9023 |
97 | ZMG | 0.9022 |
98 | B5A | 0.9021 |
99 | 4WF | 0.9021 |
100 | MEX | 0.9019 |
101 | ID8 | 0.9018 |
102 | 0OY | 0.9017 |
103 | TH4 | 0.9017 |
104 | AX8 | 0.9010 |
105 | 1FL | 0.9008 |
106 | S1D | 0.9005 |
107 | BGK | 0.9000 |
108 | 4BF | 0.8999 |
109 | BP3 | 0.8999 |
110 | DFL | 0.8998 |
111 | TCT | 0.8997 |
112 | 54F | 0.8996 |
113 | LVY | 0.8996 |
114 | 9PL | 0.8992 |
115 | FHI | 0.8991 |
116 | 0OO | 0.8984 |
117 | 6SY | 0.8983 |
118 | CTN | 0.8983 |
119 | CC5 | 0.8982 |
120 | 3QO | 0.8982 |
121 | 9JH | 0.8982 |
122 | FMQ | 0.8978 |
123 | ELH | 0.8977 |
124 | GNW | 0.8977 |
125 | JO5 | 0.8976 |
126 | 0QV | 0.8975 |
127 | AKD | 0.8973 |
128 | 9VQ | 0.8971 |
129 | PIR | 0.8970 |
130 | 6J3 | 0.8969 |
131 | TYR | 0.8965 |
132 | OJD | 0.8965 |
133 | DUR | 0.8964 |
134 | XYS XYP | 0.8963 |
135 | JD7 | 0.8963 |
136 | DTY | 0.8962 |
137 | Q9P | 0.8962 |
138 | PF1 | 0.8962 |
139 | ADN | 0.8962 |
140 | 6DE | 0.8959 |
141 | 22L | 0.8959 |
142 | G8V | 0.8959 |
143 | CC7 | 0.8957 |
144 | A4V | 0.8956 |
145 | 8UY | 0.8956 |
146 | 1KN | 0.8954 |
147 | TOH | 0.8952 |
148 | YOF | 0.8948 |
149 | THM | 0.8944 |
150 | WVV | 0.8943 |
151 | PYU | 0.8941 |
152 | GJG | 0.8937 |
153 | M2E | 0.8937 |
154 | SV4 | 0.8931 |
155 | IM4 | 0.8931 |
156 | HXY | 0.8930 |
157 | 3IL | 0.8930 |
158 | KYN | 0.8928 |
159 | X6P | 0.8927 |
160 | JMQ | 0.8915 |
161 | HWD | 0.8915 |
162 | 38B | 0.8913 |
163 | DAH | 0.8912 |
164 | CBE | 0.8912 |
165 | R9G | 0.8911 |
166 | PFT | 0.8910 |
167 | 1A5 | 0.8910 |
168 | C4F | 0.8907 |
169 | 2UB | 0.8907 |
170 | JF5 | 0.8903 |
171 | ARJ | 0.8901 |
172 | LJ4 | 0.8897 |
173 | H7S | 0.8897 |
174 | A4T | 0.8897 |
175 | H35 | 0.8896 |
176 | JSX | 0.8894 |
177 | CW6 | 0.8893 |
178 | 9AG | 0.8892 |
179 | QTS | 0.8891 |
180 | FMB | 0.8887 |
181 | C82 | 0.8887 |
182 | DFV | 0.8885 |
183 | TQL | 0.8885 |
184 | MBY | 0.8882 |
185 | NAL | 0.8882 |
186 | 5MD | 0.8879 |
187 | RK4 | 0.8878 |
188 | 5R9 | 0.8878 |
189 | S0G | 0.8877 |
190 | VJP | 0.8876 |
191 | 11X | 0.8876 |
192 | EMU | 0.8875 |
193 | PW1 | 0.8874 |
194 | DS8 | 0.8873 |
195 | JMS | 0.8872 |
196 | 5DE | 0.8868 |
197 | BPY | 0.8868 |
198 | EAJ | 0.8867 |
199 | JPQ | 0.8866 |
200 | A4N | 0.8862 |
201 | HBI | 0.8862 |
202 | F0C | 0.8861 |
203 | 42M | 0.8860 |
204 | ENO | 0.8859 |
205 | CMU | 0.8857 |
206 | 50Q | 0.8856 |
207 | 0OK | 0.8856 |
208 | FNA | 0.8855 |
209 | ITW | 0.8854 |
210 | HO6 | 0.8854 |
211 | M02 | 0.8854 |
212 | VBC | 0.8852 |
213 | Y70 | 0.8852 |
214 | 2JX | 0.8852 |
215 | 5JT | 0.8852 |
216 | A4Q | 0.8850 |
217 | PQT | 0.8849 |
218 | 5E4 | 0.8848 |
219 | TYP | 0.8848 |
220 | 3VW | 0.8847 |
221 | LR2 | 0.8843 |
222 | 0OL | 0.8842 |
223 | 1OH | 0.8842 |
224 | 92O | 0.8841 |
225 | K80 | 0.8841 |
226 | AVA | 0.8840 |
227 | MW5 | 0.8838 |
228 | LTN | 0.8835 |
229 | 9VZ | 0.8830 |
230 | 0QW | 0.8827 |
231 | 1U7 | 0.8826 |
232 | BIE | 0.8825 |
233 | IAG | 0.8825 |
234 | 9JT | 0.8823 |
235 | XYP XIM | 0.8821 |
236 | BDJ | 0.8819 |
237 | 5AD | 0.8818 |
238 | 4K2 | 0.8815 |
239 | PV1 | 0.8813 |
240 | HNK | 0.8812 |
241 | YIP | 0.8812 |
242 | CTE | 0.8809 |
243 | TBN | 0.8809 |
244 | AX4 | 0.8800 |
245 | 3WJ | 0.8798 |
246 | DTR | 0.8797 |
247 | DBS | 0.8797 |
248 | IQQ | 0.8793 |
249 | MMS | 0.8791 |
250 | ZKW | 0.8789 |
251 | FM2 | 0.8789 |
252 | HA6 | 0.8786 |
253 | J84 | 0.8784 |
254 | YX1 | 0.8784 |
255 | STZ | 0.8784 |
256 | U4J | 0.8781 |
257 | 12R | 0.8781 |
258 | 5UD | 0.8777 |
259 | 5NR | 0.8776 |
260 | BZQ | 0.8775 |
261 | I5A | 0.8774 |
262 | B4O | 0.8774 |
263 | C93 | 0.8773 |
264 | 9ME | 0.8771 |
265 | 3AD | 0.8769 |
266 | GJB | 0.8767 |
267 | AFX | 0.8765 |
268 | 6C5 | 0.8765 |
269 | RPN | 0.8765 |
270 | H5E | 0.8759 |
271 | 2GA | 0.8759 |
272 | HHV | 0.8759 |
273 | BZM | 0.8758 |
274 | EXR | 0.8755 |
275 | XEV | 0.8755 |
276 | GVQ | 0.8752 |
277 | AOJ | 0.8752 |
278 | JFZ | 0.8749 |
279 | J27 | 0.8749 |
280 | 6J9 | 0.8745 |
281 | L5D | 0.8745 |
282 | CQW | 0.8744 |
283 | 6HX | 0.8744 |
284 | RE4 | 0.8742 |
285 | Q8D | 0.8740 |
286 | Q4G | 0.8737 |
287 | DNB | 0.8735 |
288 | NOS | 0.8734 |
289 | 7QS | 0.8732 |
290 | 4L2 | 0.8729 |
291 | MTA | 0.8728 |
292 | KHP | 0.8728 |
293 | 5F1 | 0.8726 |
294 | UMP | 0.8725 |
295 | HLP | 0.8721 |
296 | 2TU | 0.8721 |
297 | 6WS | 0.8721 |
298 | IMV | 0.8719 |
299 | MZR | 0.8718 |
300 | QTJ | 0.8718 |
301 | 3D1 | 0.8717 |
302 | 8P3 | 0.8716 |
303 | RVE | 0.8715 |
304 | 7Q1 | 0.8714 |
305 | CMP | 0.8710 |
306 | 2B4 | 0.8709 |
307 | MDR | 0.8708 |
308 | CLU | 0.8707 |
309 | BP6 | 0.8706 |
310 | A9K | 0.8701 |
311 | 6EL | 0.8698 |
312 | 7G1 | 0.8695 |
313 | QRP | 0.8693 |
314 | FM1 | 0.8692 |
315 | QTD | 0.8691 |
316 | LLT | 0.8690 |
317 | Q8G | 0.8688 |
318 | Q2S | 0.8686 |
319 | EAT | 0.8685 |
320 | 5AE | 0.8685 |
321 | DCM | 0.8685 |
322 | 0K7 | 0.8683 |
323 | IWD | 0.8680 |
324 | 96Z | 0.8679 |
325 | AUT | 0.8676 |
326 | 54E | 0.8674 |
327 | PZ8 | 0.8673 |
328 | M5E | 0.8673 |
329 | R7T | 0.8672 |
330 | I0D | 0.8671 |
331 | LUR | 0.8669 |
332 | CFA | 0.8669 |
333 | N1Y | 0.8666 |
334 | H4B | 0.8665 |
335 | 1YO | 0.8665 |
336 | C2M | 0.8665 |
337 | C0W | 0.8664 |
338 | CJB | 0.8663 |
339 | XI7 | 0.8663 |
340 | 977 | 0.8662 |
341 | 42R | 0.8661 |
342 | 4RV | 0.8661 |
343 | 5S9 | 0.8659 |
344 | PPY | 0.8659 |
345 | DKX | 0.8658 |
346 | A7M | 0.8654 |
347 | AZZ | 0.8650 |
348 | 5YA | 0.8650 |
349 | TZM | 0.8649 |
350 | BWD | 0.8648 |
351 | FWD | 0.8648 |
352 | M6H | 0.8646 |
353 | AMR | 0.8646 |
354 | XYA | 0.8644 |
355 | 0D1 | 0.8641 |
356 | TL5 | 0.8640 |
357 | XYP AHR | 0.8635 |
358 | 5I5 | 0.8634 |
359 | MTP | 0.8634 |
360 | GF7 | 0.8631 |
361 | EV2 | 0.8629 |
362 | KF5 | 0.8624 |
363 | 9FH | 0.8618 |
364 | 1BN | 0.8616 |
365 | C5Q | 0.8615 |
366 | TOP | 0.8613 |
367 | 4E5 | 0.8612 |
368 | H3W | 0.8608 |
369 | PHE | 0.8606 |
370 | CWD | 0.8601 |
371 | N1E | 0.8594 |
372 | F16 | 0.8591 |
373 | 23N | 0.8590 |
374 | 5FD | 0.8587 |
375 | HNL | 0.8568 |
376 | GPK | 0.8567 |
377 | FUC GAL | 0.8562 |
378 | Z15 | 0.8549 |
379 | TVZ | 0.8543 |
380 | BZS | 0.8542 |
381 | HNM | 0.8542 |
382 | 6MD | 0.8528 |
383 | 5YC | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 4w9n.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4w9n.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4w9n.bio3) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4w9n.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |