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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 | 1TF9 | Ki = 0.92 mM | PHI | C9 H10 I N O2 | c1cc(ccc1C.... |
2 | 1F2P | Ki = 12.7 mM | PHE | C9 H11 N O2 | c1ccc(cc1).... |
3 | 1TF8 | Ki = 5.44 mM | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
4 | 1F2O | Ki = 12.4 mM | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
5 | 1TKF | - | DTR | C11 H12 N2 O2 | c1ccc2c(c1.... |
6 | 1QQ9 | Ki = 8.7 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
7 | 1TKH | - | DPN | C9 H11 N O2 | c1ccc(cc1).... |
8 | 1TKJ | - | MED | C5 H11 N O2 S | CSCC[C@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1TF9 | Ki = 0.92 mM | PHI | C9 H10 I N O2 | c1cc(ccc1C.... |
2 | 1F2P | Ki = 12.7 mM | PHE | C9 H11 N O2 | c1ccc(cc1).... |
3 | 1TF8 | Ki = 5.44 mM | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
4 | 1F2O | Ki = 12.4 mM | LEU | C6 H13 N O2 | CC(C)C[C@@.... |
5 | 1TKF | - | DTR | C11 H12 N2 O2 | c1ccc2c(c1.... |
6 | 1QQ9 | Ki = 8.7 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
7 | 1TKH | - | DPN | C9 H11 N O2 | c1ccc(cc1).... |
8 | 1TKJ | - | MED | C5 H11 N O2 S | CSCC[C@H](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PHI | 1 | 1 |
2 | DTY | 0.615385 | 0.741935 |
3 | TYR | 0.615385 | 0.741935 |
4 | PFF | 0.6 | 0.928571 |
5 | 4BF | 0.6 | 0.928571 |
6 | 0A1 | 0.571429 | 0.676471 |
7 | 7N8 | 0.571429 | 0.621622 |
8 | 4AF | 0.571429 | 0.709677 |
9 | ISA | 0.560976 | 0.689655 |
10 | 4CF | 0.55814 | 0.733333 |
11 | DPN | 0.55 | 0.814815 |
12 | PHE | 0.55 | 0.814815 |
13 | TFQ | 0.545455 | 0.774194 |
14 | 33S | 0.5 | 1 |
15 | PBF | 0.489796 | 0.6875 |
16 | IYR | 0.489362 | 0.818182 |
17 | DAH | 0.456522 | 0.638889 |
18 | 2LT | 0.434783 | 0.742857 |
19 | NAL | 0.431373 | 0.766667 |
20 | YOF | 0.428571 | 0.764706 |
21 | TYC | 0.409091 | 0.628571 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ENO | 0.9809 |
2 | TYE | 0.9561 |
3 | HFA | 0.9550 |
4 | EQW | 0.9550 |
5 | E0O | 0.9527 |
6 | S0W | 0.9524 |
7 | EN1 | 0.9521 |
8 | HWD | 0.9478 |
9 | AOT | 0.9454 |
10 | AHC | 0.9447 |
11 | SOJ | 0.9445 |
12 | F90 | 0.9444 |
13 | PH3 | 0.9431 |
14 | HC4 | 0.9421 |
15 | HIC | 0.9420 |
16 | PPT | 0.9406 |
17 | BNL | 0.9402 |
18 | NFA | 0.9399 |
19 | PPY | 0.9384 |
20 | C82 | 0.9381 |
21 | HPP | 0.9372 |
22 | HXY | 0.9361 |
23 | 0A9 | 0.9358 |
24 | MMS | 0.9347 |
25 | RQD | 0.9344 |
26 | HIS | 0.9339 |
27 | S2P | 0.9315 |
28 | 56D | 0.9308 |
29 | P81 | 0.9306 |
30 | R9J | 0.9299 |
31 | M74 | 0.9289 |
32 | 2UB | 0.9284 |
33 | CFA | 0.9283 |
34 | DHC | 0.9283 |
35 | CPZ | 0.9276 |
36 | BRH | 0.9259 |
37 | B40 | 0.9259 |
38 | SNU | 0.9254 |
39 | SHI | 0.9249 |
40 | HCI | 0.9248 |
41 | N9J | 0.9237 |
42 | PO6 | 0.9210 |
43 | 3QO | 0.9208 |
44 | 4LW | 0.9206 |
45 | M6H | 0.9203 |
46 | 92G | 0.9189 |
47 | CWD | 0.9188 |
48 | HF2 | 0.9184 |
49 | IC9 | 0.9177 |
50 | MSR | 0.9173 |
51 | BPW | 0.9172 |
52 | IWD | 0.9171 |
53 | HNL | 0.9170 |
54 | 4LV | 0.9168 |
55 | FWD | 0.9167 |
56 | BWD | 0.9162 |
57 | FHC | 0.9161 |
58 | FTV | 0.9161 |
59 | J4K | 0.9157 |
60 | HJH | 0.9155 |
61 | DYT | 0.9153 |
62 | TIH | 0.9153 |
63 | P7Y | 0.9151 |
64 | CH8 | 0.9143 |
65 | CXH | 0.9132 |
66 | PCS | 0.9127 |
67 | Y4L | 0.9127 |
68 | 4FP | 0.9123 |
69 | R2P | 0.9122 |
70 | TCA | 0.9113 |
71 | C1M | 0.9113 |
72 | 6ZX | 0.9112 |
73 | 4HP | 0.9111 |
74 | 2B4 | 0.9110 |
75 | XIZ | 0.9109 |
76 | PMF | 0.9106 |
77 | S0F | 0.9103 |
78 | 5OO | 0.9102 |
79 | YPN | 0.9098 |
80 | QH3 | 0.9093 |
81 | 5LA | 0.9073 |
82 | ARG | 0.9073 |
83 | TYL | 0.9073 |
84 | F4K | 0.9072 |
85 | TMG | 0.9068 |
86 | HHI | 0.9064 |
87 | UN1 | 0.9064 |
88 | FK8 | 0.9062 |
89 | DHI | 0.9058 |
90 | 9B3 | 0.9058 |
91 | 50C | 0.9056 |
92 | GWM | 0.9056 |
93 | K7M | 0.9053 |
94 | YIE | 0.9050 |
95 | LVD | 0.9050 |
96 | IPO | 0.9049 |
97 | NFM | 0.9048 |
98 | P58 | 0.9046 |
99 | LO1 | 0.9046 |
100 | GT4 | 0.9043 |
101 | 36Y | 0.9042 |
102 | AMQ | 0.9041 |
103 | FPL | 0.9040 |
104 | AEG | 0.9039 |
105 | J0Z | 0.9039 |
106 | YI6 | 0.9039 |
107 | PBA | 0.9037 |
108 | ALE | 0.9036 |
109 | 80G | 0.9032 |
110 | Q04 | 0.9025 |
111 | C53 | 0.9023 |
112 | HNK | 0.9020 |
113 | MJ5 | 0.9014 |
114 | N2Y | 0.9012 |
115 | BNF | 0.9008 |
116 | JAH | 0.9007 |
117 | E3X | 0.9007 |
118 | 6SD | 0.9007 |
119 | 1Z6 | 0.9002 |
120 | URO | 0.9000 |
121 | B3U | 0.8996 |
122 | 7UZ | 0.8995 |
123 | HX8 | 0.8990 |
124 | BPY | 0.8985 |
125 | AWE | 0.8978 |
126 | SWX | 0.8977 |
127 | ERZ | 0.8977 |
128 | GB5 | 0.8977 |
129 | SYC | 0.8972 |
130 | HX4 | 0.8970 |
131 | 4MP | 0.8964 |
132 | 3VW | 0.8963 |
133 | PRA | 0.8963 |
134 | 9VQ | 0.8961 |
135 | MP5 | 0.8955 |
136 | HL4 | 0.8955 |
137 | TRP | 0.8952 |
138 | 4PN | 0.8948 |
139 | CS2 | 0.8945 |
140 | NCT | 0.8945 |
141 | HSO | 0.8943 |
142 | N4B | 0.8938 |
143 | A5E | 0.8937 |
144 | 3QM | 0.8936 |
145 | 61M | 0.8935 |
146 | 6FZ | 0.8934 |
147 | F06 | 0.8933 |
148 | 3YP | 0.8933 |
149 | 1PS | 0.8932 |
150 | HHH | 0.8929 |
151 | Q9Z | 0.8927 |
152 | QUS | 0.8925 |
153 | B85 | 0.8925 |
154 | CXP | 0.8921 |
155 | L13 | 0.8918 |
156 | P80 | 0.8918 |
157 | 3NF | 0.8917 |
158 | 8U3 | 0.8914 |
159 | SOR | 0.8914 |
160 | AKG | 0.8912 |
161 | 5TT | 0.8912 |
162 | PPN | 0.8910 |
163 | 1FD | 0.8908 |
164 | K80 | 0.8906 |
165 | XCG | 0.8905 |
166 | 1L5 | 0.8901 |
167 | 2HC | 0.8901 |
168 | 5WZ | 0.8900 |
169 | 54E | 0.8899 |
170 | 2QC | 0.8895 |
171 | BY5 | 0.8895 |
172 | DIR | 0.8893 |
173 | BVS | 0.8892 |
174 | TB8 | 0.8891 |
175 | HNH | 0.8891 |
176 | 3PG | 0.8890 |
177 | OHJ | 0.8890 |
178 | 5O6 | 0.8890 |
179 | XDK | 0.8888 |
180 | JZA | 0.8888 |
181 | FMQ | 0.8887 |
182 | 3C4 | 0.8887 |
183 | F4E | 0.8885 |
184 | TOH | 0.8885 |
185 | GB4 | 0.8885 |
186 | XRX | 0.8884 |
187 | LTN | 0.8884 |
188 | 1BN | 0.8882 |
189 | ZEC | 0.8879 |
190 | HPS | 0.8879 |
191 | PTU | 0.8874 |
192 | PF1 | 0.8873 |
193 | GZ2 | 0.8871 |
194 | AMR | 0.8871 |
195 | TZF | 0.8870 |
196 | MES | 0.8868 |
197 | LSQ | 0.8868 |
198 | M2E | 0.8866 |
199 | SBK | 0.8865 |
200 | UA5 | 0.8859 |
201 | 4Z9 | 0.8859 |
202 | 363 | 0.8854 |
203 | LLH | 0.8853 |
204 | 7R4 | 0.8852 |
205 | X48 | 0.8852 |
206 | PIM | 0.8850 |
207 | A7Q | 0.8850 |
208 | 36M | 0.8849 |
209 | YF3 | 0.8849 |
210 | THU | 0.8841 |
211 | CTE | 0.8841 |
212 | RVE | 0.8840 |
213 | OOG | 0.8839 |
214 | S0D | 0.8838 |
215 | 264 | 0.8836 |
216 | BZ2 | 0.8834 |
217 | 54F | 0.8833 |
218 | 173 | 0.8832 |
219 | MTL | 0.8831 |
220 | 1A5 | 0.8831 |
221 | KYN | 0.8829 |
222 | 2PK | 0.8826 |
223 | DTR | 0.8826 |
224 | S3C | 0.8822 |
225 | PLP | 0.8821 |
226 | EVF | 0.8819 |
227 | YIH | 0.8817 |
228 | E4P | 0.8814 |
229 | GNW | 0.8811 |
230 | K82 | 0.8810 |
231 | 1A7 | 0.8806 |
232 | OQC | 0.8805 |
233 | PBN | 0.8802 |
234 | 88L | 0.8799 |
235 | 428 | 0.8799 |
236 | FER | 0.8798 |
237 | GLR | 0.8797 |
238 | RLG | 0.8796 |
239 | FUD | 0.8795 |
240 | M4T | 0.8794 |
241 | TZM | 0.8788 |
242 | 2PV | 0.8788 |
243 | BTM | 0.8787 |
244 | I2E | 0.8785 |
245 | CH9 | 0.8784 |
246 | E79 | 0.8783 |
247 | MPV | 0.8783 |
248 | S7A | 0.8779 |
249 | 2BX | 0.8779 |
250 | RBJ | 0.8777 |
251 | FZM | 0.8775 |
252 | SSC | 0.8769 |
253 | OGA | 0.8768 |
254 | KDG | 0.8767 |
255 | 268 | 0.8767 |
256 | IS2 | 0.8766 |
257 | 5O5 | 0.8765 |
258 | 0NX | 0.8764 |
259 | QY9 | 0.8764 |
260 | AHN | 0.8763 |
261 | E9P | 0.8762 |
262 | GLU | 0.8762 |
263 | PLR | 0.8760 |
264 | A4N | 0.8759 |
265 | 1KN | 0.8758 |
266 | ICB | 0.8757 |
267 | CLU | 0.8756 |
268 | 5RP | 0.8754 |
269 | LT1 | 0.8754 |
270 | KTJ | 0.8751 |
271 | M72 | 0.8748 |
272 | YZM | 0.8748 |
273 | IAR | 0.8746 |
274 | M5E | 0.8745 |
275 | 9W5 | 0.8745 |
276 | LL2 | 0.8742 |
277 | B41 | 0.8739 |
278 | JRB | 0.8739 |
279 | VC3 | 0.8737 |
280 | 0OY | 0.8736 |
281 | 2FX | 0.8736 |
282 | 4ZD | 0.8733 |
283 | RA7 | 0.8732 |
284 | ABF | 0.8732 |
285 | R20 | 0.8726 |
286 | L5V | 0.8725 |
287 | LDP | 0.8725 |
288 | EYV | 0.8725 |
289 | S24 | 0.8724 |
290 | PLP PMP | 0.8719 |
291 | AEF | 0.8718 |
292 | GCO | 0.8718 |
293 | 2C0 | 0.8717 |
294 | A9K | 0.8714 |
295 | 7VP | 0.8714 |
296 | LGT | 0.8712 |
297 | YRL | 0.8708 |
298 | 4FA | 0.8707 |
299 | 263 | 0.8703 |
300 | ENW | 0.8702 |
301 | RP3 | 0.8698 |
302 | G14 | 0.8695 |
303 | 36E | 0.8695 |
304 | TT4 | 0.8693 |
305 | 1EB | 0.8693 |
306 | 6J5 | 0.8693 |
307 | 42J | 0.8690 |
308 | I4B | 0.8686 |
309 | JPQ | 0.8680 |
310 | LZ5 | 0.8679 |
311 | HDH | 0.8679 |
312 | 0OO | 0.8674 |
313 | 3IL | 0.8674 |
314 | 6C5 | 0.8671 |
315 | 4MB | 0.8670 |
316 | C0H | 0.8663 |
317 | 1X4 | 0.8661 |
318 | Z70 | 0.8659 |
319 | RP5 | 0.8655 |
320 | 7O4 | 0.8650 |
321 | JCZ | 0.8650 |
322 | GLY GLY GLY | 0.8647 |
323 | NYL | 0.8643 |
324 | 86L | 0.8643 |
325 | M3H | 0.8642 |
326 | PJW | 0.8642 |
327 | 258 | 0.8640 |
328 | 492 | 0.8637 |
329 | SV4 | 0.8635 |
330 | D1Y | 0.8632 |
331 | 5SP | 0.8629 |
332 | AAN | 0.8629 |
333 | LYS | 0.8627 |
334 | M1T | 0.8626 |
335 | 3R4 | 0.8622 |
336 | DZA | 0.8618 |
337 | 7QS | 0.8618 |
338 | 2O8 | 0.8617 |
339 | NAG | 0.8616 |
340 | URS | 0.8615 |
341 | NK5 | 0.8611 |
342 | 54Z | 0.8611 |
343 | HSX | 0.8603 |
344 | 4NP | 0.8602 |
345 | EYJ | 0.8599 |
346 | 505 | 0.8597 |
347 | GZQ | 0.8596 |
348 | 51Y | 0.8595 |
349 | EUH | 0.8587 |
350 | 4FE | 0.8575 |
351 | DXP | 0.8574 |
352 | 7BC | 0.8570 |
353 | 5VL | 0.8565 |
354 | R9S | 0.8565 |
355 | STZ | 0.8564 |
356 | 4BX | 0.8559 |
357 | F1X | 0.8555 |
358 | PSJ | 0.8552 |
359 | 27K | 0.8550 |
360 | DTE | 0.8550 |
361 | SOL | 0.8547 |
362 | RKN | 0.8546 |
363 | OJD | 0.8543 |
364 | 4TB | 0.8542 |
365 | BL0 | 0.8522 |
366 | ZIQ | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 1tf9.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |