- 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 2 families. | |||||
1 | 3B9G | Ki = 19 uM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 3EPW | Ki = 4.4 nM | JMQ | C12 H16 N4 O4 | c1c(c2c([n.... |
3 | 2FF1 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 1KIC | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
5 | 1R4F | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
6 | 1KIE | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
7 | 3EPX | Ki = 10.8 nM | IMQ | C15 H18 N2 O3 | c1cc2cccnc.... |
8 | 1HP0 | Ki = 0.2 uM | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
9 | 2FF2 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
10 | 4I71 | Ki = 18 nM | AGV | C12 H17 N5 O3 | c1c(c2c([n.... |
11 | 4I74 | - | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
12 | 4I73 | Ki = 190 nM | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
13 | 4I72 | Ki = 0.9 nM | UA2 | C11 H15 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3B9G | Ki = 19 uM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 3EPW | Ki = 4.4 nM | JMQ | C12 H16 N4 O4 | c1c(c2c([n.... |
3 | 2FF1 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 1KIC | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
5 | 1R4F | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
6 | 1KIE | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
7 | 3EPX | Ki = 10.8 nM | IMQ | C15 H18 N2 O3 | c1cc2cccnc.... |
8 | 1HP0 | Ki = 0.2 uM | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
9 | 2FF2 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
10 | 4I71 | Ki = 18 nM | AGV | C12 H17 N5 O3 | c1c(c2c([n.... |
11 | 4I74 | - | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
12 | 4I73 | Ki = 190 nM | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
13 | 4I72 | Ki = 0.9 nM | UA2 | C11 H15 N5 O3 | c1c(c2c([n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AD3 | 1 | 1 |
2 | 1DA | 0.514706 | 1 |
3 | RAB | 0.5 | 1 |
4 | XYA | 0.5 | 1 |
5 | ADN | 0.5 | 1 |
6 | 6CR | 0.458333 | 0.910448 |
7 | 2FA | 0.450704 | 0.924242 |
8 | MZR | 0.447761 | 0.859375 |
9 | EKK | 0.43662 | 0.923077 |
10 | GMP | 0.421053 | 0.882353 |
11 | RFZ | 0.416667 | 0.818182 |
12 | TBN | 0.414286 | 0.983607 |
13 | 26A | 0.410959 | 0.893939 |
14 | 5ID | 0.402778 | 0.923077 |
15 | EKH | 0.402778 | 0.923077 |
16 | 5N5 | 0.402778 | 0.967742 |
17 | SGV | 0.4 | 0.967742 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NOC | 0.9955 |
2 | NOS | 0.9908 |
3 | ARJ | 0.9898 |
4 | 5FD | 0.9845 |
5 | FMB | 0.9829 |
6 | A4D | 0.9826 |
7 | 5AD | 0.9791 |
8 | A | 0.9781 |
9 | MTA | 0.9739 |
10 | FTU | 0.9718 |
11 | 5NB | 0.9714 |
12 | 3AD | 0.9699 |
13 | 5F1 | 0.9689 |
14 | 3D1 | 0.9687 |
15 | MTP | 0.9676 |
16 | Y3J | 0.9670 |
17 | 5CD | 0.9663 |
18 | FMC | 0.9658 |
19 | 6MD | 0.9610 |
20 | 4UO | 0.9607 |
21 | 8OX | 0.9602 |
22 | AFX | 0.9594 |
23 | PRH | 0.9572 |
24 | IMH | 0.9568 |
25 | UA2 | 0.9567 |
26 | DBM | 0.9565 |
27 | MTM | 0.9555 |
28 | 3BH | 0.9549 |
29 | 9DI | 0.9545 |
30 | CFE | 0.9533 |
31 | HPR | 0.9531 |
32 | CL9 | 0.9516 |
33 | MTH | 0.9496 |
34 | FM2 | 0.9496 |
35 | MDR | 0.9493 |
36 | NWW | 0.9481 |
37 | GNG | 0.9472 |
38 | EP4 | 0.9459 |
39 | FM1 | 0.9449 |
40 | TAL | 0.9428 |
41 | 5I5 | 0.9419 |
42 | RPP | 0.9410 |
43 | 7D7 | 0.9401 |
44 | MG7 | 0.9386 |
45 | MTI | 0.9378 |
46 | CTN | 0.9371 |
47 | PUR | 0.9370 |
48 | CC5 | 0.9358 |
49 | 3DH | 0.9358 |
50 | THM | 0.9355 |
51 | SNI | 0.9335 |
52 | 5MD | 0.9325 |
53 | ZAS | 0.9322 |
54 | 5UD | 0.9300 |
55 | 5BT | 0.9293 |
56 | 7CI | 0.9292 |
57 | MCY | 0.9281 |
58 | HO4 | 0.9279 |
59 | 13A | 0.9278 |
60 | 0DN | 0.9262 |
61 | DCF | 0.9251 |
62 | CDY | 0.9241 |
63 | 3DT | 0.9238 |
64 | NWQ | 0.9233 |
65 | H7S | 0.9226 |
66 | URI | 0.9225 |
67 | MCF | 0.9225 |
68 | DUR | 0.9217 |
69 | 3L1 | 0.9215 |
70 | I5A | 0.9193 |
71 | SCT | 0.9191 |
72 | B86 | 0.9172 |
73 | CTD | 0.9166 |
74 | F01 | 0.9159 |
75 | URD | 0.9150 |
76 | 15Q | 0.9142 |
77 | TIZ | 0.9141 |
78 | ID2 | 0.9140 |
79 | XYP XYP | 0.9139 |
80 | 2JX | 0.9138 |
81 | UUA | 0.9136 |
82 | TO1 | 0.9135 |
83 | XDN XYP | 0.9122 |
84 | ZYV | 0.9119 |
85 | II4 | 0.9111 |
86 | XYP XDN | 0.9108 |
87 | 8HG | 0.9105 |
88 | NEC | 0.9102 |
89 | KF5 | 0.9097 |
90 | RVD | 0.9090 |
91 | N8M | 0.9080 |
92 | DCZ | 0.9080 |
93 | XIL | 0.9080 |
94 | XDL XYP | 0.9079 |
95 | ACE TRP | 0.9078 |
96 | XYP XYS | 0.9066 |
97 | S1D | 0.9049 |
98 | JSX | 0.9043 |
99 | QQX | 0.9039 |
100 | TYU | 0.9033 |
101 | Z8B | 0.9033 |
102 | XYS AZI XYS | 0.9032 |
103 | VCE | 0.9028 |
104 | XYP XIF | 0.9028 |
105 | XIF XYP | 0.9026 |
106 | NNR | 0.9017 |
107 | 3RP | 0.9016 |
108 | 2QU | 0.9015 |
109 | XYS XYP | 0.9012 |
110 | QQY | 0.9011 |
111 | B2L | 0.9010 |
112 | XYS XYS | 0.9010 |
113 | AOC | 0.9006 |
114 | 2TU | 0.9003 |
115 | NIR | 0.8999 |
116 | RBV | 0.8998 |
117 | RVC | 0.8995 |
118 | ACK | 0.8993 |
119 | P2L | 0.8992 |
120 | 1SF | 0.8991 |
121 | 5P7 | 0.8988 |
122 | PE2 | 0.8987 |
123 | TRP | 0.8981 |
124 | DBS | 0.8981 |
125 | OUA | 0.8980 |
126 | EAT | 0.8979 |
127 | HBI | 0.8978 |
128 | 92O | 0.8978 |
129 | SGP | 0.8977 |
130 | DTR | 0.8972 |
131 | NEO | 0.8972 |
132 | ZIQ | 0.8971 |
133 | EZN | 0.8971 |
134 | THU | 0.8970 |
135 | TMC | 0.8968 |
136 | SA0 | 0.8966 |
137 | GA2 | 0.8963 |
138 | AVX | 0.8963 |
139 | IXG | 0.8961 |
140 | BZM | 0.8958 |
141 | TIA | 0.8953 |
142 | C2M | 0.8953 |
143 | NE1 | 0.8946 |
144 | WCU | 0.8946 |
145 | XTS | 0.8945 |
146 | VBC | 0.8943 |
147 | ZJB | 0.8940 |
148 | JF8 | 0.8936 |
149 | AMP | 0.8932 |
150 | 0GA | 0.8931 |
151 | DNB | 0.8930 |
152 | GFE | 0.8929 |
153 | XYP XIM | 0.8925 |
154 | X2M | 0.8922 |
155 | 9UL | 0.8915 |
156 | RVB | 0.8913 |
157 | ZEB | 0.8913 |
158 | 2GD | 0.8910 |
159 | X29 | 0.8908 |
160 | GEO | 0.8907 |
161 | ZSP | 0.8906 |
162 | H4B | 0.8905 |
163 | BMC | 0.8896 |
164 | DDU | 0.8894 |
165 | 5AE | 0.8889 |
166 | A3N | 0.8884 |
167 | CTE | 0.8880 |
168 | JY4 | 0.8878 |
169 | DTE | 0.8875 |
170 | Z2T | 0.8872 |
171 | C0H | 0.8864 |
172 | JVQ | 0.8862 |
173 | Q2S | 0.8861 |
174 | 0OK | 0.8860 |
175 | 6J3 | 0.8860 |
176 | 1KN | 0.8859 |
177 | 1FL | 0.8851 |
178 | 5E5 | 0.8846 |
179 | KWB | 0.8845 |
180 | PZ8 | 0.8842 |
181 | BVD | 0.8842 |
182 | 5JT | 0.8841 |
183 | A4G | 0.8838 |
184 | EXX | 0.8834 |
185 | C4F | 0.8833 |
186 | NXB | 0.8831 |
187 | DK4 | 0.8830 |
188 | MBY | 0.8828 |
189 | DXK | 0.8827 |
190 | D1M | 0.8827 |
191 | JA3 | 0.8825 |
192 | GPK | 0.8825 |
193 | B5A | 0.8824 |
194 | JMQ | 0.8822 |
195 | H2B | 0.8820 |
196 | 5GP | 0.8816 |
197 | 22L | 0.8815 |
198 | 092 | 0.8815 |
199 | BIO | 0.8811 |
200 | 4L2 | 0.8809 |
201 | DHZ | 0.8808 |
202 | 6U5 | 0.8807 |
203 | MFR | 0.8806 |
204 | QME | 0.8806 |
205 | 5E4 | 0.8806 |
206 | 4GU | 0.8804 |
207 | MPU | 0.8803 |
208 | ITW | 0.8799 |
209 | Z15 | 0.8797 |
210 | C0Y | 0.8796 |
211 | Q9T | 0.8789 |
212 | SX3 | 0.8787 |
213 | 9CE | 0.8786 |
214 | XYP AHR | 0.8786 |
215 | 78U | 0.8783 |
216 | EXR | 0.8782 |
217 | BRD | 0.8782 |
218 | Z57 | 0.8781 |
219 | GPQ | 0.8778 |
220 | M01 | 0.8778 |
221 | NEU | 0.8777 |
222 | 5BX | 0.8772 |
223 | 0SY | 0.8771 |
224 | LOX XYP | 0.8768 |
225 | N5O | 0.8766 |
226 | C4E | 0.8764 |
227 | 2UD | 0.8762 |
228 | 3QI | 0.8761 |
229 | GPU | 0.8759 |
230 | DBQ | 0.8757 |
231 | 0OO | 0.8752 |
232 | FCW | 0.8750 |
233 | 9RM | 0.8749 |
234 | NIY | 0.8748 |
235 | BGC GLC | 0.8747 |
236 | EF2 | 0.8747 |
237 | 2J5 | 0.8747 |
238 | FT2 | 0.8746 |
239 | 4K2 | 0.8746 |
240 | K80 | 0.8746 |
241 | RR7 GLC | 0.8744 |
242 | W29 | 0.8739 |
243 | WV7 | 0.8739 |
244 | ID8 | 0.8739 |
245 | 4OG | 0.8738 |
246 | OVE | 0.8733 |
247 | CX5 | 0.8731 |
248 | 848 | 0.8729 |
249 | BFH | 0.8729 |
250 | BBY | 0.8727 |
251 | EAJ | 0.8727 |
252 | Q4G | 0.8726 |
253 | BGC OXZ | 0.8725 |
254 | 96Z | 0.8725 |
255 | 4AB | 0.8722 |
256 | GAL FUC | 0.8721 |
257 | 64I | 0.8721 |
258 | B21 | 0.8719 |
259 | BC3 | 0.8719 |
260 | IMP | 0.8716 |
261 | 8DA | 0.8716 |
262 | 3D8 | 0.8715 |
263 | JGB | 0.8715 |
264 | ER6 | 0.8715 |
265 | S0G | 0.8715 |
266 | M5H | 0.8713 |
267 | 3IP | 0.8712 |
268 | 2GQ | 0.8711 |
269 | 7D1 MAN | 0.8710 |
270 | EXL | 0.8709 |
271 | AJ4 | 0.8708 |
272 | LVY | 0.8708 |
273 | HVE | 0.8708 |
274 | CJZ | 0.8708 |
275 | ALN | 0.8708 |
276 | IFM BGC | 0.8707 |
277 | TI7 | 0.8707 |
278 | GLC IFM | 0.8705 |
279 | 1Q4 | 0.8704 |
280 | 6ZW | 0.8697 |
281 | MAN IFM | 0.8695 |
282 | JRO | 0.8691 |
283 | IMK | 0.8689 |
284 | I0D | 0.8687 |
285 | ABM | 0.8685 |
286 | PF1 | 0.8682 |
287 | DS8 | 0.8682 |
288 | EV2 | 0.8680 |
289 | FY8 | 0.8678 |
290 | AWE | 0.8678 |
291 | AUV | 0.8677 |
292 | 16Z | 0.8677 |
293 | AVA | 0.8677 |
294 | ERJ | 0.8676 |
295 | B4L | 0.8672 |
296 | GLC DMJ | 0.8672 |
297 | 51Y | 0.8668 |
298 | SRA | 0.8666 |
299 | 7EH | 0.8666 |
300 | LL1 | 0.8664 |
301 | SY4 | 0.8664 |
302 | WS6 | 0.8662 |
303 | 3WK | 0.8662 |
304 | 2DL | 0.8661 |
305 | 5V7 | 0.8660 |
306 | JOB | 0.8659 |
307 | FT6 | 0.8657 |
308 | CUH | 0.8654 |
309 | LMS | 0.8652 |
310 | 9FH | 0.8652 |
311 | TXQ | 0.8650 |
312 | X48 | 0.8650 |
313 | 3Y7 | 0.8650 |
314 | IXM | 0.8649 |
315 | BHS | 0.8647 |
316 | BGC GAL | 0.8647 |
317 | TH1 | 0.8647 |
318 | TVZ | 0.8647 |
319 | NQ8 | 0.8646 |
320 | MAN MNM | 0.8645 |
321 | RE4 | 0.8642 |
322 | AV4 | 0.8640 |
323 | CJB | 0.8640 |
324 | 0FR | 0.8637 |
325 | DNQ | 0.8637 |
326 | R9G | 0.8634 |
327 | M0N | 0.8633 |
328 | Y70 | 0.8632 |
329 | H75 | 0.8632 |
330 | PW1 | 0.8631 |
331 | H70 | 0.8628 |
332 | MXD | 0.8625 |
333 | RK4 | 0.8623 |
334 | 774 | 0.8623 |
335 | 42R | 0.8619 |
336 | DKZ | 0.8619 |
337 | I2E | 0.8618 |
338 | LTN | 0.8618 |
339 | DX2 | 0.8616 |
340 | 2P3 | 0.8613 |
341 | IQZ | 0.8612 |
342 | MMA XYP | 0.8610 |
343 | MIL | 0.8607 |
344 | WVV | 0.8607 |
345 | 8D6 | 0.8606 |
346 | CX6 | 0.8604 |
347 | UKV | 0.8602 |
348 | GF7 | 0.8598 |
349 | W23 | 0.8596 |
350 | BGC BGC | 0.8594 |
351 | EMO | 0.8592 |
352 | OUG | 0.8592 |
353 | 885 | 0.8588 |
354 | JO5 | 0.8582 |
355 | DKX | 0.8579 |
356 | 1YO | 0.8578 |
357 | QKU | 0.8577 |
358 | GLC GLC | 0.8576 |
359 | IMV | 0.8574 |
360 | 6EL | 0.8572 |
361 | AMR | 0.8571 |
362 | X11 | 0.8570 |
363 | DGO Z61 | 0.8570 |
364 | D64 | 0.8569 |
365 | KUP | 0.8563 |
366 | LZJ | 0.8563 |
367 | 581 | 0.8561 |
368 | EMU | 0.8560 |
369 | HDU | 0.8556 |
370 | 5SD | 0.8555 |
371 | 9FG | 0.8555 |
372 | 19E | 0.8550 |
373 | 71V | 0.8550 |
374 | 4NR | 0.8549 |
375 | ZRK | 0.8548 |
376 | CHQ | 0.8545 |
377 | 145 | 0.8540 |
378 | TES | 0.8536 |
379 | CB1 | 0.8534 |
380 | 2KU | 0.8534 |
381 | 1WO | 0.8534 |
382 | L3L | 0.8532 |
383 | DHT | 0.8523 |
384 | U5P | 0.8509 |
385 | CBE | 0.8506 |