- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 9 families. | |||||
1 | 5TBT | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
2 | 5TBU | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
3 | 5TBS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
4 | 3FB1 | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
5 | 3E9R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
6 | 3E0Q | - | JFD | C4 H4 Br N3 O2 | C1(=C(NC(=.... |
7 | 3FNQ | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
8 | 3FAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
9 | 3IEX | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
10 | 3DJF | ic50 = 0.8 uM | BC3 | C12 H11 N5 O | c1cc(cnc1).... |
11 | 3F8W | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 5IFK | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
29 | 5TBT | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
30 | 5TBU | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
31 | 5TBS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
32 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
33 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
34 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
35 | 2P4S | Ki = 0.31 nM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
36 | 3FB1 | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
37 | 3E9R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3E0Q | - | JFD | C4 H4 Br N3 O2 | C1(=C(NC(=.... |
39 | 3FNQ | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
40 | 3FAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
41 | 3IEX | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
42 | 3DJF | ic50 = 0.8 uM | BC3 | C12 H11 N5 O | c1cc(cnc1).... |
43 | 3F8W | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
44 | 1VMK | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | B5A | 0.9590 |
2 | 4WF | 0.9489 |
3 | 1Q4 | 0.9474 |
4 | DE7 | 0.9461 |
5 | A4V | 0.9430 |
6 | 12R | 0.9427 |
7 | EXG | 0.9422 |
8 | RE4 | 0.9401 |
9 | 9E3 | 0.9392 |
10 | 4VT | 0.9389 |
11 | AC2 | 0.9349 |
12 | FNA | 0.9349 |
13 | PE2 | 0.9320 |
14 | C4E | 0.9310 |
15 | GA2 | 0.9305 |
16 | 22T | 0.9283 |
17 | EMU | 0.9278 |
18 | 3AK | 0.9275 |
19 | H35 | 0.9267 |
20 | HWH | 0.9262 |
21 | ASE | 0.9261 |
22 | 2N0 | 0.9218 |
23 | B4L | 0.9210 |
24 | C0Y | 0.9209 |
25 | 6XC | 0.9207 |
26 | ML1 | 0.9207 |
27 | NWL | 0.9205 |
28 | 531 | 0.9189 |
29 | 0QV | 0.9183 |
30 | AX8 | 0.9180 |
31 | 3WK | 0.9172 |
32 | MDR | 0.9170 |
33 | DIH | 0.9166 |
34 | 536 | 0.9165 |
35 | DTE | 0.9162 |
36 | 15I | 0.9160 |
37 | CUQ | 0.9155 |
38 | NXB | 0.9153 |
39 | RK4 | 0.9145 |
40 | 2L2 | 0.9143 |
41 | DYZ | 0.9138 |
42 | F91 | 0.9134 |
43 | NIY | 0.9131 |
44 | IM4 | 0.9119 |
45 | 4Z9 | 0.9117 |
46 | ON1 | 0.9114 |
47 | 00G | 0.9108 |
48 | BIE | 0.9106 |
49 | CTE | 0.9104 |
50 | JA3 | 0.9103 |
51 | BB4 | 0.9098 |
52 | GNG | 0.9092 |
53 | 69K | 0.9088 |
54 | QTS | 0.9083 |
55 | KUP | 0.9082 |
56 | VJJ | 0.9080 |
57 | ZYC | 0.9079 |
58 | C4F | 0.9078 |
59 | 94M | 0.9078 |
60 | 3IB | 0.9077 |
61 | 0RU | 0.9077 |
62 | AEY | 0.9077 |
63 | PMM | 0.9076 |
64 | LJ4 | 0.9075 |
65 | HA6 | 0.9072 |
66 | TQ3 | 0.9071 |
67 | RNK | 0.9069 |
68 | CDY | 0.9068 |
69 | PW1 | 0.9056 |
70 | CUH | 0.9049 |
71 | OA5 | 0.9047 |
72 | ZEA | 0.9046 |
73 | QUB | 0.9044 |
74 | 2FD | 0.9043 |
75 | ITW | 0.9037 |
76 | NAL | 0.9030 |
77 | 96Z | 0.9030 |
78 | JXQ | 0.9028 |
79 | YIH | 0.9028 |
80 | 5O5 | 0.9028 |
81 | CMU | 0.9025 |
82 | ZEZ | 0.9025 |
83 | R9G | 0.9024 |
84 | JMQ | 0.9021 |
85 | AX5 | 0.9020 |
86 | ADN | 0.9020 |
87 | AX4 | 0.9019 |
88 | D5F | 0.9016 |
89 | PZB | 0.9014 |
90 | CL9 | 0.9013 |
91 | 5OU | 0.9012 |
92 | NWD | 0.9012 |
93 | HHV | 0.9011 |
94 | AZC | 0.9009 |
95 | TRP | 0.9006 |
96 | 1U7 | 0.9006 |
97 | 0QX | 0.9005 |
98 | 3L1 | 0.9002 |
99 | CMG | 0.9001 |
100 | M77 | 0.8995 |
101 | 0OM | 0.8994 |
102 | 8Y7 | 0.8990 |
103 | ONZ | 0.8989 |
104 | V15 | 0.8988 |
105 | FVY | 0.8985 |
106 | 2UD | 0.8985 |
107 | L12 | 0.8985 |
108 | 3WN | 0.8984 |
109 | 3WO | 0.8984 |
110 | AGV | 0.8982 |
111 | MW5 | 0.8981 |
112 | 8MF | 0.8978 |
113 | QTV | 0.8975 |
114 | IEE | 0.8973 |
115 | 7PJ | 0.8973 |
116 | F0C | 0.8967 |
117 | M1D | 0.8966 |
118 | NAR | 0.8966 |
119 | L21 | 0.8964 |
120 | IXG | 0.8963 |
121 | CC5 | 0.8963 |
122 | 78U | 0.8959 |
123 | FUZ | 0.8958 |
124 | EXP | 0.8956 |
125 | SCE | 0.8953 |
126 | MQS | 0.8951 |
127 | 9F8 | 0.8948 |
128 | Q9P | 0.8945 |
129 | 7VY | 0.8943 |
130 | 5AD | 0.8943 |
131 | 50Q | 0.8942 |
132 | HLP | 0.8937 |
133 | LQG | 0.8934 |
134 | DTR | 0.8934 |
135 | 6GP | 0.8931 |
136 | Q5M | 0.8930 |
137 | ELH | 0.8929 |
138 | N18 | 0.8929 |
139 | 1A6 | 0.8925 |
140 | TQ4 | 0.8919 |
141 | 6EO | 0.8918 |
142 | IWH | 0.8917 |
143 | BZM | 0.8913 |
144 | MH5 | 0.8911 |
145 | 7PS | 0.8909 |
146 | FPL | 0.8908 |
147 | DBS | 0.8907 |
148 | NEO | 0.8906 |
149 | 5F1 | 0.8903 |
150 | LRT | 0.8902 |
151 | MBY | 0.8898 |
152 | 848 | 0.8895 |
153 | HBI | 0.8894 |
154 | H4B | 0.8893 |
155 | UI2 | 0.8892 |
156 | WA2 | 0.8891 |
157 | 4YF | 0.8891 |
158 | Z25 | 0.8889 |
159 | ZIP | 0.8887 |
160 | QEI | 0.8887 |
161 | IMK | 0.8885 |
162 | LR2 | 0.8884 |
163 | 3IL | 0.8883 |
164 | 0ON | 0.8882 |
165 | 92O | 0.8881 |
166 | N1Y | 0.8875 |
167 | 68B | 0.8875 |
168 | TH1 | 0.8874 |
169 | 4P8 | 0.8872 |
170 | TDI | 0.8872 |
171 | 4Y2 | 0.8870 |
172 | 6J5 | 0.8867 |
173 | CHQ | 0.8866 |
174 | GNW | 0.8865 |
175 | CH8 | 0.8864 |
176 | CQW | 0.8862 |
177 | CHJ | 0.8860 |
178 | EXR | 0.8859 |
179 | MJ5 | 0.8859 |
180 | 5AV | 0.8857 |
181 | 5R9 | 0.8855 |
182 | X29 | 0.8852 |
183 | CWD | 0.8851 |
184 | Z15 | 0.8851 |
185 | 0OP | 0.8851 |
186 | 2H4 | 0.8848 |
187 | 4YE | 0.8847 |
188 | C8Z | 0.8846 |
189 | BWD | 0.8845 |
190 | 11X | 0.8845 |
191 | GPK | 0.8843 |
192 | 340 | 0.8843 |
193 | MBP | 0.8840 |
194 | 4UO | 0.8837 |
195 | GMP | 0.8836 |
196 | E9P | 0.8834 |
197 | 4JV | 0.8834 |
198 | ZW2 | 0.8833 |
199 | G30 | 0.8833 |
200 | HVE | 0.8833 |
201 | KYN | 0.8832 |
202 | I0D | 0.8829 |
203 | Z57 | 0.8829 |
204 | 2J5 | 0.8827 |
205 | DX6 | 0.8826 |
206 | OX2 | 0.8824 |
207 | IOP | 0.8824 |
208 | DK4 | 0.8822 |
209 | EYY | 0.8822 |
210 | CTN | 0.8820 |
211 | OAK | 0.8818 |
212 | CGW | 0.8817 |
213 | QNI | 0.8816 |
214 | S0I | 0.8812 |
215 | JF5 | 0.8812 |
216 | JY2 | 0.8808 |
217 | 6C9 | 0.8808 |
218 | IWD | 0.8806 |
219 | CW6 | 0.8805 |
220 | TOP | 0.8802 |
221 | SX3 | 0.8802 |
222 | AOJ | 0.8802 |
223 | FWD | 0.8800 |
224 | P93 | 0.8796 |
225 | 4F0 | 0.8796 |
226 | LM7 | 0.8795 |
227 | DCN | 0.8792 |
228 | 5WN | 0.8790 |
229 | YIP | 0.8789 |
230 | RUG | 0.8788 |
231 | IMQ | 0.8787 |
232 | CUT | 0.8784 |
233 | ARJ | 0.8783 |
234 | S7G | 0.8781 |
235 | XDH | 0.8780 |
236 | WFY | 0.8780 |
237 | H7S | 0.8778 |
238 | XYA | 0.8775 |
239 | C1Y | 0.8774 |
240 | A7M | 0.8774 |
241 | 3JC | 0.8773 |
242 | S7V | 0.8771 |
243 | 8KW | 0.8770 |
244 | XYS XYS | 0.8769 |
245 | SIJ | 0.8768 |
246 | YX1 | 0.8766 |
247 | 7Z9 | 0.8766 |
248 | 3D1 | 0.8766 |
249 | AMR | 0.8765 |
250 | D4X | 0.8760 |
251 | CG8 | 0.8760 |
252 | TPM | 0.8758 |
253 | 3B4 | 0.8757 |
254 | A6H | 0.8756 |
255 | CPW | 0.8755 |
256 | MMS | 0.8755 |
257 | PVQ | 0.8754 |
258 | NIP | 0.8751 |
259 | NEU | 0.8751 |
260 | M02 | 0.8749 |
261 | GU7 | 0.8748 |
262 | 2FA | 0.8747 |
263 | O2Q | 0.8745 |
264 | 2AN | 0.8745 |
265 | TH4 | 0.8743 |
266 | IMH | 0.8741 |
267 | FMB | 0.8741 |
268 | 2DL | 0.8740 |
269 | IAG | 0.8740 |
270 | SNI | 0.8739 |
271 | M01 | 0.8737 |
272 | MG7 | 0.8735 |
273 | CKI | 0.8733 |
274 | CWP | 0.8727 |
275 | 6CR | 0.8726 |
276 | G6P | 0.8725 |
277 | 88R | 0.8725 |
278 | 3IP | 0.8724 |
279 | CU5 | 0.8724 |
280 | MUX | 0.8722 |
281 | XDI | 0.8722 |
282 | 6C5 | 0.8721 |
283 | PYU | 0.8719 |
284 | AD3 | 0.8719 |
285 | PVK | 0.8718 |
286 | NQE | 0.8713 |
287 | OUB | 0.8712 |
288 | IQP | 0.8710 |
289 | URI | 0.8707 |
290 | TBN | 0.8707 |
291 | PMP | 0.8701 |
292 | 2BI | 0.8701 |
293 | JYK | 0.8701 |
294 | 4EU | 0.8698 |
295 | UN9 | 0.8698 |
296 | OSB | 0.8696 |
297 | BIO | 0.8696 |
298 | 54F | 0.8692 |
299 | EYM | 0.8691 |
300 | XYP XYP | 0.8690 |
301 | SOJ | 0.8690 |
302 | JNS | 0.8689 |
303 | NOS | 0.8688 |
304 | 8RK | 0.8679 |
305 | F1V | 0.8677 |
306 | H2B | 0.8675 |
307 | 6HP | 0.8675 |
308 | I2E | 0.8674 |
309 | 8OB | 0.8673 |
310 | 4K2 | 0.8672 |
311 | KLV | 0.8672 |
312 | FSU | 0.8672 |
313 | FER | 0.8672 |
314 | ETV | 0.8672 |
315 | 4KN | 0.8669 |
316 | IMG | 0.8669 |
317 | 9JH | 0.8668 |
318 | 8HG | 0.8666 |
319 | RAB | 0.8658 |
320 | 3LJ | 0.8654 |
321 | EYA | 0.8653 |
322 | 1CE | 0.8651 |
323 | CX4 | 0.8649 |
324 | HO6 | 0.8649 |
325 | 3AD | 0.8649 |
326 | G8V | 0.8646 |
327 | 9ME | 0.8644 |
328 | 9DI | 0.8640 |
329 | PLP | 0.8640 |
330 | WDT | 0.8638 |
331 | 1TD | 0.8638 |
332 | KWB | 0.8637 |
333 | GI2 | 0.8635 |
334 | 7ZC | 0.8635 |
335 | P1Y | 0.8634 |
336 | 28E | 0.8634 |
337 | F9W | 0.8633 |
338 | GJB | 0.8633 |
339 | JTY | 0.8632 |
340 | JHY | 0.8632 |
341 | 9JT | 0.8629 |
342 | VJP | 0.8628 |
343 | EDG AHR | 0.8626 |
344 | 5N5 | 0.8623 |
345 | SYE | 0.8623 |
346 | TIZ | 0.8623 |
347 | GI4 | 0.8622 |
348 | R7T | 0.8620 |
349 | Q2S | 0.8619 |
350 | HX8 | 0.8619 |
351 | 5WS | 0.8619 |
352 | B61 | 0.8617 |
353 | C6Z | 0.8615 |
354 | BDI | 0.8614 |
355 | C1E | 0.8614 |
356 | KF5 | 0.8614 |
357 | CBE | 0.8612 |
358 | 0QR | 0.8611 |
359 | 7ZO | 0.8607 |
360 | BZQ | 0.8607 |
361 | RDV | 0.8605 |
362 | KCH | 0.8602 |
363 | DS8 | 0.8602 |
364 | AVA | 0.8597 |
365 | H48 | 0.8595 |
366 | GJW | 0.8592 |
367 | XYP XYS | 0.8591 |
368 | BFS | 0.8590 |
369 | 2OH | 0.8588 |
370 | 7G1 | 0.8585 |
371 | 5JT | 0.8583 |
372 | NQK | 0.8581 |
373 | QD0 | 0.8579 |
374 | 5WK | 0.8575 |
375 | PLR | 0.8569 |
376 | FB4 | 0.8568 |
377 | PTB | 0.8564 |
378 | IQU | 0.8561 |
379 | 5FD | 0.8552 |
380 | DBE | 0.8549 |
381 | 3EB | 0.8538 |
382 | 8P3 | 0.8537 |
383 | XYS XYP | 0.8535 |
384 | PV1 | 0.8528 |
385 | MTA | 0.8519 |
386 | 4B0 | 0.8512 |
387 | Q2R | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 3djf.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5F7J | ADE | 33.4375 |
This union binding pocket(no: 2) in the query (biounit: 3djf.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3djf.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |