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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 5 families. | |||||
1 | 2VKU | Kd = 29.5 uM | DBE | C13 H10 O3 | c1cc(ccc1C.... |
2 | 1X8V | Kd = 100 uM | ESL | C18 H24 O3 | C[C@]12CC[.... |
3 | 2W0A | - | CII | C17 H25 N3 O2 | CC(C)[C@@H.... |
4 | 2W09 | Kd = 35.4 uM | CM9 | C18 H27 N3 O2 S | CC1CCC(CC1.... |
5 | 2W0B | Kd = 58.3 uM | CMW | C16 H19 N3 O4 S | Cc1ccc(cc1.... |
6 | 2CIB | Kd = 7.2 uM | CM6 | C19 H15 N5 O3 S2 | c1ccc(cc1).... |
7 | 2CI0 | Kd = 5 uM | 1CM | C15 H16 N2 O | CC[C@H](c1.... |
8 | 1E9X | - | PIM | C9 H8 N2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4UVR | - | J5Y | C34 H32 Cl F N6 O2 | Cc1ccc(cc1.... |
2 | 2WUZ | - | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
3 | 4C0C | Kd < 10 nM | WVH | C33 H29 F3 N6 O2 | c1ccc2c(c1.... |
4 | 4COH | Kd ~ 10 nM | T9H | C31 H29 F N6 O4 S2 | c1ccc2c(c1.... |
5 | 4C28 | - | TW5 | C33 H30 Cl F N6 O2 | c1ccc2c(c1.... |
6 | 2WX2 | - | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
7 | 4UQH | Kd = 240 nM | 25S | C33 H29 F3 N6 O2 | c1ccc2c(c1.... |
8 | 4C27 | - | 26N | C34 H30 F4 N6 O2 | c1ccc2c(c1.... |
9 | 4ZE2 | Kd = 0.13 uM | 1YN | C35 H38 Cl2 N8 O4 | CC[C@@H](C.... |
10 | 5HS1 | Kd = 0.082 uM | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
11 | 4WMZ | Kd = 0.074 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
12 | 5EAG | - | 5LU | C15 H16 Cl3 N3 O2 | CCCN(CCOc1.... |
13 | 4ZE1 | Kd = 0.15 uM | X2N | C37 H42 F2 N8 O4 | CC[C@@H]([.... |
14 | 5EAD | - | 5L9 | C14 H15 Cl2 N3 O | c1ccc(c(c1.... |
15 | 5EQB | - | 1YN | C35 H38 Cl2 N8 O4 | CC[C@@H](C.... |
16 | 4LXJ | - | LAN | C30 H50 O | C[C@H](CCC.... |
17 | 4ZDZ | Kd = 0.13 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
18 | 4ZE3 | Kd = 0.11 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
19 | 5EAC | - | TBQ | C16 H22 Cl N3 O | CC(C)(C)[C.... |
20 | 4ZE0 | Kd = 0.03 uM | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
21 | 4ZDY | Kd = 0.13 uM | 1YN | C35 H38 Cl2 N8 O4 | CC[C@@H](C.... |
22 | 6AYB | - | KKK | C26 H28 Cl2 N4 O4 | CC(=O)N1CC.... |
23 | 6AY6 | - | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
24 | 5TZ1 | Kd = 20.7 nM | VT1 | C23 H16 F7 N5 O2 | c1cc(ccc1c.... |
25 | 2VKU | Kd = 29.5 uM | DBE | C13 H10 O3 | c1cc(ccc1C.... |
26 | 1X8V | Kd = 100 uM | ESL | C18 H24 O3 | C[C@]12CC[.... |
27 | 2W0A | - | CII | C17 H25 N3 O2 | CC(C)[C@@H.... |
28 | 2W09 | Kd = 35.4 uM | CM9 | C18 H27 N3 O2 S | CC1CCC(CC1.... |
29 | 2W0B | Kd = 58.3 uM | CMW | C16 H19 N3 O4 S | Cc1ccc(cc1.... |
30 | 2CIB | Kd = 7.2 uM | CM6 | C19 H15 N5 O3 S2 | c1ccc(cc1).... |
31 | 2CI0 | Kd = 5 uM | 1CM | C15 H16 N2 O | CC[C@H](c1.... |
32 | 1E9X | - | PIM | C9 H8 N2 | c1ccc(cc1).... |
33 | 6CR2 | Kd = 20 nM | LFV | C28 H19 Cl2 F4 N5 O3 | c1cc(ccc1c.... |
34 | 3TIK | - | JKF | C28 H22 Cl F2 N3 O2 | Cn1cncc1[C.... |
35 | 4UHI | Kd = 103 nM | VFV | C32 H23 F2 N5 O2 | c1ccc(cc1).... |
36 | 4UHL | Kd = 103 nM | VFV | C32 H23 F2 N5 O2 | c1ccc(cc1).... |
37 | 6UEZ | - | LAN | C30 H50 O | C[C@H](CCC.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S46 | 0.9686 |
2 | 22F | 0.9641 |
3 | 27M | 0.9613 |
4 | 2OH | 0.9597 |
5 | A8K | 0.9588 |
6 | H48 | 0.9567 |
7 | CUQ | 0.9544 |
8 | CW6 | 0.9489 |
9 | 0OY | 0.9485 |
10 | 6JD | 0.9479 |
11 | TPM | 0.9451 |
12 | DCN | 0.9445 |
13 | BZQ | 0.9442 |
14 | XI7 | 0.9427 |
15 | M2E | 0.9404 |
16 | 4FP | 0.9390 |
17 | HH6 | 0.9389 |
18 | FCW | 0.9386 |
19 | SOJ | 0.9370 |
20 | 8OE | 0.9370 |
21 | S0F | 0.9369 |
22 | 8OB | 0.9358 |
23 | CUH | 0.9347 |
24 | PFT | 0.9347 |
25 | CUT | 0.9345 |
26 | ERZ | 0.9343 |
27 | 4MP | 0.9340 |
28 | 0ON | 0.9328 |
29 | 11X | 0.9323 |
30 | 272 | 0.9320 |
31 | BGK | 0.9320 |
32 | OJD | 0.9308 |
33 | 68B | 0.9306 |
34 | 1OH | 0.9302 |
35 | 7ZO | 0.9300 |
36 | 4NR | 0.9297 |
37 | BVS | 0.9296 |
38 | EQW | 0.9293 |
39 | SFY | 0.9284 |
40 | WCU | 0.9282 |
41 | C6Z | 0.9278 |
42 | HX8 | 0.9272 |
43 | TCL | 0.9252 |
44 | LIG | 0.9249 |
45 | 1HP | 0.9249 |
46 | A7Q | 0.9241 |
47 | Q0K | 0.9236 |
48 | 1AJ | 0.9227 |
49 | 0UL | 0.9223 |
50 | IQW | 0.9219 |
51 | 3VW | 0.9218 |
52 | 2JX | 0.9217 |
53 | S1D | 0.9217 |
54 | SJR | 0.9216 |
55 | 47V | 0.9211 |
56 | Q8D | 0.9209 |
57 | JSX | 0.9201 |
58 | VBC | 0.9200 |
59 | DP4 | 0.9196 |
60 | D1Y | 0.9183 |
61 | 0DF | 0.9181 |
62 | L1T | 0.9181 |
63 | K48 | 0.9178 |
64 | Q8G | 0.9177 |
65 | 9ME | 0.9177 |
66 | 0OM | 0.9175 |
67 | 1HR | 0.9174 |
68 | 8CC | 0.9174 |
69 | 3W1 | 0.9172 |
70 | BZM | 0.9171 |
71 | 6WS | 0.9167 |
72 | AX4 | 0.9164 |
73 | II4 | 0.9163 |
74 | D25 | 0.9162 |
75 | PZX | 0.9161 |
76 | BSA | 0.9156 |
77 | PIQ | 0.9149 |
78 | FB4 | 0.9149 |
79 | A9B | 0.9144 |
80 | MKN | 0.9144 |
81 | KYN | 0.9143 |
82 | GVQ | 0.9135 |
83 | 4AU | 0.9134 |
84 | 6C5 | 0.9134 |
85 | LVP | 0.9130 |
86 | 6C9 | 0.9123 |
87 | MJW | 0.9118 |
88 | 1FE | 0.9118 |
89 | N2Y | 0.9118 |
90 | TQL | 0.9115 |
91 | 27K | 0.9114 |
92 | EV2 | 0.9109 |
93 | TCC | 0.9106 |
94 | 5R8 | 0.9106 |
95 | PV1 | 0.9106 |
96 | 0OL | 0.9106 |
97 | JF5 | 0.9103 |
98 | U4J | 0.9103 |
99 | 848 | 0.9102 |
100 | GJG | 0.9101 |
101 | NK5 | 0.9099 |
102 | H3W | 0.9099 |
103 | 9JH | 0.9098 |
104 | 08D | 0.9097 |
105 | KP2 | 0.9092 |
106 | D1G | 0.9090 |
107 | 7EH | 0.9089 |
108 | 0K7 | 0.9089 |
109 | FPL | 0.9081 |
110 | WDW | 0.9077 |
111 | LFQ | 0.9076 |
112 | SVG | 0.9074 |
113 | 5WK | 0.9074 |
114 | 5B2 | 0.9074 |
115 | 1SF | 0.9073 |
116 | SNJ | 0.9073 |
117 | NAL | 0.9073 |
118 | AJ1 | 0.9071 |
119 | 7VF | 0.9063 |
120 | LR2 | 0.9063 |
121 | 3IP | 0.9062 |
122 | MJ5 | 0.9061 |
123 | IPJ | 0.9060 |
124 | 5FL | 0.9060 |
125 | 9JT | 0.9059 |
126 | YTZ | 0.9058 |
127 | R7T | 0.9057 |
128 | FT6 | 0.9054 |
129 | BXZ | 0.9053 |
130 | DDC | 0.9051 |
131 | LJ4 | 0.9051 |
132 | C4E | 0.9050 |
133 | YE6 | 0.9048 |
134 | 3KJ | 0.9047 |
135 | 0QR | 0.9043 |
136 | JFS | 0.9043 |
137 | 5NR | 0.9042 |
138 | 7G2 | 0.9042 |
139 | LL2 | 0.9041 |
140 | RSV | 0.9039 |
141 | 2PK | 0.9038 |
142 | G8V | 0.9027 |
143 | FT3 | 0.9026 |
144 | MQS | 0.9021 |
145 | FT1 | 0.9020 |
146 | CBE | 0.9017 |
147 | DA2 | 0.9015 |
148 | E9P | 0.9015 |
149 | 2J5 | 0.9014 |
150 | DFL | 0.9014 |
151 | DTR | 0.9014 |
152 | MEX | 0.9010 |
153 | 5F8 | 0.9009 |
154 | 2P3 | 0.9008 |
155 | 2L1 | 0.9008 |
156 | FT2 | 0.9007 |
157 | 0LO | 0.9007 |
158 | 5TO | 0.9007 |
159 | YUG | 0.9005 |
160 | 5C1 | 0.9003 |
161 | CH8 | 0.9003 |
162 | QME | 0.9000 |
163 | FZ3 | 0.8996 |
164 | 0QV | 0.8994 |
165 | C82 | 0.8990 |
166 | 90G | 0.8988 |
167 | 96Z | 0.8988 |
168 | 5AD | 0.8987 |
169 | 6FG | 0.8987 |
170 | LVY | 0.8984 |
171 | 2QV | 0.8983 |
172 | DFV | 0.8982 |
173 | LJ5 | 0.8977 |
174 | H7S | 0.8977 |
175 | 108 | 0.8976 |
176 | 5H6 | 0.8973 |
177 | LL1 | 0.8971 |
178 | P7V | 0.8970 |
179 | TRP | 0.8969 |
180 | CX5 | 0.8968 |
181 | WVV | 0.8968 |
182 | AJ4 | 0.8966 |
183 | JGY | 0.8966 |
184 | AVA | 0.8965 |
185 | KLE | 0.8962 |
186 | QTV | 0.8961 |
187 | AUV | 0.8959 |
188 | KPV | 0.8953 |
189 | 6C8 | 0.8952 |
190 | QTJ | 0.8951 |
191 | YIE | 0.8949 |
192 | 6DQ | 0.8947 |
193 | 2QU | 0.8947 |
194 | OUL | 0.8945 |
195 | XDL XYP | 0.8943 |
196 | RV1 | 0.8942 |
197 | LVB | 0.8942 |
198 | 1FL | 0.8940 |
199 | 9AG | 0.8940 |
200 | KW7 | 0.8939 |
201 | 27N | 0.8938 |
202 | 3QO | 0.8938 |
203 | 28A | 0.8933 |
204 | PUE | 0.8932 |
205 | JOT | 0.8931 |
206 | 36M | 0.8931 |
207 | 3SU | 0.8926 |
208 | IQ5 | 0.8925 |
209 | C0W | 0.8925 |
210 | 7L4 | 0.8925 |
211 | 5E5 | 0.8921 |
212 | 4L2 | 0.8921 |
213 | 5VU | 0.8920 |
214 | PV2 | 0.8920 |
215 | Q4G | 0.8919 |
216 | NWD | 0.8918 |
217 | CC5 | 0.8917 |
218 | IQQ | 0.8915 |
219 | 1XS | 0.8914 |
220 | A18 | 0.8914 |
221 | F91 | 0.8913 |
222 | 9VQ | 0.8910 |
223 | L5D | 0.8910 |
224 | EMU | 0.8907 |
225 | EUH | 0.8904 |
226 | XYP XDN | 0.8904 |
227 | S8P | 0.8903 |
228 | 7VY | 0.8903 |
229 | XDN XYP | 0.8903 |
230 | 20D | 0.8903 |
231 | 6HO | 0.8902 |
232 | K7H | 0.8901 |
233 | 3IL | 0.8899 |
234 | AZY | 0.8893 |
235 | 5F5 | 0.8891 |
236 | HXY | 0.8889 |
237 | 0XR | 0.8889 |
238 | P93 | 0.8887 |
239 | FHV | 0.8886 |
240 | G14 | 0.8886 |
241 | OA1 | 0.8882 |
242 | 0X2 | 0.8881 |
243 | NIF | 0.8879 |
244 | RDV | 0.8874 |
245 | GNW | 0.8873 |
246 | 9MK | 0.8873 |
247 | MQR | 0.8871 |
248 | EXG | 0.8871 |
249 | XYP XYP | 0.8870 |
250 | QTD | 0.8870 |
251 | 5PV | 0.8869 |
252 | TI7 | 0.8867 |
253 | 5R9 | 0.8866 |
254 | AP6 | 0.8864 |
255 | 6C4 | 0.8862 |
256 | 40N | 0.8862 |
257 | JMG | 0.8862 |
258 | D4G | 0.8862 |
259 | PRL | 0.8862 |
260 | 3CA | 0.8861 |
261 | AVX | 0.8861 |
262 | XDI | 0.8859 |
263 | VJP | 0.8859 |
264 | NPX | 0.8857 |
265 | RK4 | 0.8855 |
266 | KUP | 0.8853 |
267 | 0OK | 0.8853 |
268 | A73 | 0.8852 |
269 | 1ER | 0.8852 |
270 | 5ZM | 0.8851 |
271 | TYP | 0.8851 |
272 | 28B | 0.8850 |
273 | BSU | 0.8850 |
274 | 9UL | 0.8849 |
275 | KF5 | 0.8849 |
276 | 50Q | 0.8847 |
277 | A5H | 0.8846 |
278 | 2UD | 0.8844 |
279 | HLP | 0.8841 |
280 | R9G | 0.8840 |
281 | B5A | 0.8838 |
282 | FZ0 | 0.8834 |
283 | TCT | 0.8834 |
284 | AX5 | 0.8834 |
285 | KWV | 0.8832 |
286 | CHV | 0.8832 |
287 | 657 | 0.8826 |
288 | P2L | 0.8823 |
289 | RF2 | 0.8822 |
290 | KMY | 0.8821 |
291 | VIB | 0.8820 |
292 | TLT | 0.8817 |
293 | MW5 | 0.8816 |
294 | EST | 0.8815 |
295 | 54F | 0.8813 |
296 | LZ5 | 0.8813 |
297 | RQD | 0.8812 |
298 | BBY | 0.8811 |
299 | M01 | 0.8810 |
300 | A08 | 0.8810 |
301 | D64 | 0.8809 |
302 | AJG | 0.8808 |
303 | XDH | 0.8807 |
304 | PQM | 0.8807 |
305 | 4Z9 | 0.8805 |
306 | Q92 | 0.8804 |
307 | JVD | 0.8804 |
308 | XYS XYS | 0.8804 |
309 | A6H | 0.8802 |
310 | X6P | 0.8802 |
311 | 51Y | 0.8798 |
312 | 9RK | 0.8796 |
313 | FCD | 0.8795 |
314 | TVC | 0.8794 |
315 | 4KJ | 0.8794 |
316 | 6ZX | 0.8792 |
317 | GNR | 0.8791 |
318 | HA6 | 0.8791 |
319 | OLU | 0.8791 |
320 | TVZ | 0.8791 |
321 | ZTW | 0.8791 |
322 | 6MW | 0.8790 |
323 | JE7 | 0.8789 |
324 | Q9P | 0.8788 |
325 | N9J | 0.8787 |
326 | PYU | 0.8784 |
327 | FMQ | 0.8784 |
328 | 9XZ | 0.8782 |
329 | 0QA | 0.8782 |
330 | 54E | 0.8782 |
331 | M5E | 0.8781 |
332 | ENO | 0.8780 |
333 | 5O6 | 0.8777 |
334 | S45 | 0.8775 |
335 | VM1 | 0.8773 |
336 | 3CX | 0.8770 |
337 | PV4 | 0.8769 |
338 | JOB | 0.8769 |
339 | JA3 | 0.8768 |
340 | ZZA | 0.8767 |
341 | CWE | 0.8766 |
342 | RVE | 0.8766 |
343 | EAT | 0.8765 |
344 | D2G | 0.8764 |
345 | 69K | 0.8764 |
346 | CU8 | 0.8762 |
347 | A05 | 0.8760 |
348 | 2GQ | 0.8759 |
349 | BQ2 | 0.8758 |
350 | NIY | 0.8755 |
351 | HBI | 0.8754 |
352 | HAR | 0.8753 |
353 | 22L | 0.8750 |
354 | 3JC | 0.8750 |
355 | 0OP | 0.8750 |
356 | 4WF | 0.8749 |
357 | SNB | 0.8748 |
358 | 1V3 | 0.8747 |
359 | MIL | 0.8747 |
360 | 9FG | 0.8743 |
361 | PZ8 | 0.8740 |
362 | ISC | 0.8739 |
363 | RE4 | 0.8739 |
364 | 6JO | 0.8737 |
365 | CX4 | 0.8737 |
366 | YIP | 0.8737 |
367 | FHI | 0.8736 |
368 | W1G | 0.8735 |
369 | 8D6 | 0.8735 |
370 | TCR | 0.8732 |
371 | XIF XYP | 0.8731 |
372 | XYP XIF | 0.8731 |
373 | J47 | 0.8731 |
374 | RPN | 0.8730 |
375 | DBS | 0.8729 |
376 | 6JM | 0.8724 |
377 | 6DE | 0.8723 |
378 | 4RV | 0.8723 |
379 | 7G1 | 0.8723 |
380 | AUE | 0.8722 |
381 | ODK | 0.8721 |
382 | EF2 | 0.8720 |
383 | FQY | 0.8718 |
384 | 15Q | 0.8717 |
385 | 4FF | 0.8715 |
386 | LZJ | 0.8715 |
387 | QRN | 0.8714 |
388 | SQV | 0.8713 |
389 | XYS XYP | 0.8712 |
390 | N1E | 0.8711 |
391 | TCW | 0.8710 |
392 | 1KN | 0.8708 |
393 | F4U | 0.8707 |
394 | 6SY | 0.8703 |
395 | 3C5 | 0.8702 |
396 | C4F | 0.8701 |
397 | AUG | 0.8699 |
398 | 57D | 0.8696 |
399 | 0QX | 0.8695 |
400 | 78U | 0.8691 |
401 | 9W7 | 0.8690 |
402 | 5DE | 0.8683 |
403 | EYY | 0.8682 |
404 | NFZ | 0.8682 |
405 | 5P3 | 0.8681 |
406 | H35 | 0.8680 |
407 | 9FH | 0.8679 |
408 | 7EL | 0.8677 |
409 | TOH | 0.8677 |
410 | WL3 | 0.8676 |
411 | YE7 | 0.8675 |
412 | F63 | 0.8674 |
413 | J84 | 0.8674 |
414 | NAR | 0.8671 |
415 | 7FU | 0.8668 |
416 | EYV | 0.8667 |
417 | 9HK | 0.8665 |
418 | FWD | 0.8664 |
419 | SYE | 0.8660 |
420 | 7PS | 0.8660 |
421 | 60L | 0.8657 |
422 | IXG | 0.8655 |
423 | J3Z | 0.8654 |
424 | A98 | 0.8653 |
425 | DUR | 0.8649 |
426 | URI | 0.8645 |
427 | 8UY | 0.8641 |
428 | HSA | 0.8639 |
429 | LZ4 | 0.8634 |
430 | EV3 | 0.8632 |
431 | 38B | 0.8631 |
432 | JPB | 0.8631 |
433 | 28E | 0.8629 |
434 | P1J | 0.8628 |
435 | B4L | 0.8624 |
436 | X29 | 0.8622 |
437 | CUE | 0.8619 |
438 | KMP | 0.8619 |
439 | JO5 | 0.8619 |
440 | 42R | 0.8616 |
441 | 92G | 0.8615 |
442 | 613 | 0.8614 |
443 | 43F | 0.8610 |
444 | U13 | 0.8609 |
445 | IOP | 0.8602 |
446 | FC2 | 0.8597 |
447 | Y70 | 0.8595 |
448 | 4JK | 0.8594 |
449 | BP7 | 0.8590 |
450 | WA1 | 0.8590 |
451 | JD7 | 0.8589 |
452 | 5WN | 0.8583 |
453 | 6QT | 0.8581 |
454 | 12R | 0.8576 |
455 | Y3L | 0.8573 |
456 | AX6 | 0.8570 |
457 | D2S | 0.8563 |
458 | PV8 | 0.8554 |
459 | BC3 | 0.8549 |
460 | 39Z | 0.8548 |
461 | 7O4 | 0.8546 |
462 | HO6 | 0.8544 |
463 | TYR | 0.8542 |
464 | THM | 0.8530 |
465 | DHC | 0.8527 |
466 | 2WU | 0.8523 |
467 | 4KN | 0.8522 |
468 | 0QW | 0.8518 |
469 | 6FB | 0.8518 |
470 | 5TZ | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 2ci0.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |