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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 20 families. | |||||
1 | 1NWT | - | NAG NAG NAG NAG NDG NAG | n/a | n/a |
2 | 1NWU | - | NAG NAG NAG NDG | n/a | n/a |
3 | 1HJW | - | NAG NAG NAG NAG NAG | n/a | n/a |
4 | 1ZBC | - | TRP PRO TRP | n/a | n/a |
5 | 2DT0 | - | NAG NAG NAG | n/a | n/a |
6 | 2DT1 | - | NAG NAG NAG NAG | n/a | n/a |
7 | 1WAW | ic50 = 0.013 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
8 | 1WB0 | ic50 = 4.5 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
9 | 4WKH | - | NAG NAG | n/a | n/a |
10 | 1HKK | ic50 = 40 nM | NAA AMI NAA | n/a | n/a |
11 | 4WK9 | - | NAG NAG | n/a | n/a |
12 | 5NRF | ic50 = 163 nM | 95Q | C22 H27 Cl N6 | c1ccc(cc1).... |
13 | 4WKF | - | NAG NAG | n/a | n/a |
14 | 6JK6 | Kd = 1.12 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
15 | 6ZE8 | ic50 = 23 nM | QGB | C19 H27 Cl N6 O | C[C@H]1CN(.... |
16 | 5NR8 | ic50 = 175 nM | 95N | C16 H23 Br N6 | CN(CCc1ccc.... |
17 | 5NRA | ic50 = 123 nM | 95K | C19 H29 Br N6 | CC(C)CN(CC.... |
18 | 6JJR | Ki = 0.049 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
19 | 2YBT | ic50 = 20 uM | DW0 | C17 H20 N8 O4 | Cn1cnc2c1C.... |
20 | 3RM4 | Kd = 1.69 uM | 3RM | C14 H19 Br N6 O | c1cc(ccc1O.... |
21 | 3RM9 | Kd = 17 uM | 613 | C11 H15 Cl N4 | [H]/N=C(N).... |
22 | 2YBU | Ki = 0.42 uM | CX9 | C16 H18 N8 O4 | Cn1cnc2c1C.... |
23 | 3RME | ic50 = 22 uM | RME | C17 H22 N6 O3 | Cc1ccnc(c1.... |
24 | 3FY1 | - | NAA AMI NA1 | n/a | n/a |
25 | 4P8V | Kd = 204 uM | NAG NAG | n/a | n/a |
26 | 4AY1 | - | NAG NAG NAG NAG | n/a | n/a |
27 | 4P8X | Kd = 0.04 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 5Y2B | - | NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
2 | 6JAW | Ki = 2.18 uM | BBO | C19 H20 N2 O3 | c1cc2cccc3.... |
3 | 6JAX | - | GCS GCS GCS GCS GCS GCS GCS GCS | n/a | n/a |
4 | 6JAV | Ki = 1.72 uM | BC0 | C20 H19 Cl N4 S2 | CN1Cc2c(c3.... |
5 | 6JAY | Ki = 1.99 uM | JUK | C22 H22 N5 O4 | c1cc(oc1)C.... |
6 | 1NWT | - | NAG NAG NAG NAG NDG NAG | n/a | n/a |
7 | 1NWU | - | NAG NAG NAG NDG | n/a | n/a |
8 | 1HJW | - | NAG NAG NAG NAG NAG | n/a | n/a |
9 | 3WQV | Kd = 6.2 uM | GCS GCS GCS GCS GCS | n/a | n/a |
10 | 3WQW | - | GCS GCS GCS GCS GCS | n/a | n/a |
11 | 1WNO | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
12 | 2A3C | Kd = 43 uM | PNX | C13 H18 N4 O3 | CC(=O)CCCC.... |
13 | 2A3A | ic50 = 1500 uM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
14 | 1W9U | Kd = 0.81 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
15 | 6KXN | - | NAG NAG | n/a | n/a |
16 | 6KXL | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 6KXM | - | NAG NAG | n/a | n/a |
18 | 1ZB5 | - | TRP PRO TRP | n/a | n/a |
19 | 2DSU | - | NDG NAG NAG | n/a | n/a |
20 | 1ZBC | - | TRP PRO TRP | n/a | n/a |
21 | 2DT0 | - | NAG NAG NAG | n/a | n/a |
22 | 2DT1 | - | NAG NAG NAG NAG | n/a | n/a |
23 | 2DT3 | Kd = 18 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
24 | 1WAW | ic50 = 0.013 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
25 | 1WB0 | ic50 = 4.5 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
26 | 5Y2C | - | NAG NAG NAG NAG NAG | n/a | n/a |
27 | 4WKH | - | NAG NAG | n/a | n/a |
28 | 1HKK | ic50 = 40 nM | NAA AMI NAA | n/a | n/a |
29 | 4WK9 | - | NAG NAG | n/a | n/a |
30 | 5NRF | ic50 = 163 nM | 95Q | C22 H27 Cl N6 | c1ccc(cc1).... |
31 | 4WKF | - | NAG NAG | n/a | n/a |
32 | 6JK6 | Kd = 1.12 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
33 | 6ZE8 | ic50 = 23 nM | QGB | C19 H27 Cl N6 O | C[C@H]1CN(.... |
34 | 5NR8 | ic50 = 175 nM | 95N | C16 H23 Br N6 | CN(CCc1ccc.... |
35 | 5NRA | ic50 = 123 nM | 95K | C19 H29 Br N6 | CC(C)CN(CC.... |
36 | 6JJR | Ki = 0.049 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
37 | 3RM8 | ic50 = 0.7 uM | RM8 | C19 H22 N4 | Cc1c(c2ccc.... |
38 | 2YBT | ic50 = 20 uM | DW0 | C17 H20 N8 O4 | Cn1cnc2c1C.... |
39 | 3RM4 | Kd = 1.69 uM | 3RM | C14 H19 Br N6 O | c1cc(ccc1O.... |
40 | 3RM9 | Kd = 17 uM | 613 | C11 H15 Cl N4 | [H]/N=C(N).... |
41 | 2YBU | Ki = 0.42 uM | CX9 | C16 H18 N8 O4 | Cn1cnc2c1C.... |
42 | 3RME | ic50 = 22 uM | RME | C17 H22 N6 O3 | Cc1ccnc(c1.... |
43 | 3FY1 | - | NAA AMI NA1 | n/a | n/a |
44 | 4P8V | Kd = 204 uM | NAG NAG | n/a | n/a |
45 | 4AY1 | - | NAG NAG NAG NAG | n/a | n/a |
46 | 4P8X | Kd = 0.04 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
47 | 4R5E | Kd = 0.000000064 M | AO3 | C25 H42 N4 O14 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4FC | 0.9861 |
2 | 6P3 | 0.9621 |
3 | PQS | 0.9621 |
4 | 5TT | 0.9533 |
5 | PQM | 0.9515 |
6 | 6H2 | 0.9443 |
7 | ZTW | 0.9441 |
8 | 7KE | 0.9418 |
9 | 72D | 0.9394 |
10 | JAH | 0.9392 |
11 | 14N | 0.9387 |
12 | WA1 | 0.9348 |
13 | BC5 | 0.9339 |
14 | SWX | 0.9314 |
15 | FYR | 0.9313 |
16 | 397 | 0.9301 |
17 | 7N8 | 0.9277 |
18 | 1Q1 | 0.9264 |
19 | 5TU | 0.9258 |
20 | 6SD | 0.9257 |
21 | 80G | 0.9243 |
22 | HDI | 0.9239 |
23 | FBC | 0.9229 |
24 | SNV | 0.9227 |
25 | S0D | 0.9223 |
26 | 7G0 | 0.9217 |
27 | VC3 | 0.9216 |
28 | E3X | 0.9198 |
29 | H75 | 0.9197 |
30 | TID | 0.9186 |
31 | 7EH | 0.9185 |
32 | LR8 | 0.9183 |
33 | KLS | 0.9180 |
34 | B1J | 0.9177 |
35 | BX4 | 0.9171 |
36 | L2K | 0.9165 |
37 | QME | 0.9161 |
38 | 26C | 0.9159 |
39 | RKN | 0.9151 |
40 | J1K | 0.9142 |
41 | ZAR | 0.9140 |
42 | L15 | 0.9140 |
43 | NK5 | 0.9136 |
44 | BFL | 0.9132 |
45 | G2V | 0.9122 |
46 | 54E | 0.9104 |
47 | FMQ | 0.9098 |
48 | 5VU | 0.9089 |
49 | 68B | 0.9087 |
50 | KLE | 0.9068 |
51 | J84 | 0.9059 |
52 | CBE | 0.9058 |
53 | 8D6 | 0.9057 |
54 | 789 | 0.9056 |
55 | FZM | 0.9050 |
56 | 1A5 | 0.9049 |
57 | 7FZ | 0.9047 |
58 | EES | 0.9045 |
59 | 27K | 0.9039 |
60 | 9FH | 0.9039 |
61 | JMG | 0.9037 |
62 | D1G | 0.9034 |
63 | S45 | 0.9028 |
64 | AWE | 0.9026 |
65 | A6Z | 0.9018 |
66 | 2PV | 0.9010 |
67 | 22F | 0.9009 |
68 | P7V | 0.9007 |
69 | 47X | 0.9004 |
70 | K7H | 0.9003 |
71 | 4AF | 0.9003 |
72 | 6WR | 0.9001 |
73 | C53 | 0.9000 |
74 | 5H6 | 0.8997 |
75 | SJR | 0.8997 |
76 | LOT | 0.8995 |
77 | 2PK | 0.8995 |
78 | FMH | 0.8994 |
79 | RA7 | 0.8993 |
80 | 11X | 0.8991 |
81 | 7EL | 0.8990 |
82 | 1EB | 0.8990 |
83 | LO1 | 0.8989 |
84 | KWV | 0.8989 |
85 | WCU | 0.8989 |
86 | D2G | 0.8988 |
87 | 3VS | 0.8987 |
88 | P4T | 0.8987 |
89 | EI1 | 0.8984 |
90 | 8YH | 0.8977 |
91 | 7ZO | 0.8974 |
92 | XDL XYP | 0.8972 |
93 | F4K | 0.8972 |
94 | 3VQ | 0.8969 |
95 | OLU | 0.8967 |
96 | D26 | 0.8965 |
97 | 0ON | 0.8959 |
98 | 7FU | 0.8958 |
99 | 90G | 0.8956 |
100 | 135 | 0.8950 |
101 | D25 | 0.8949 |
102 | 5S9 | 0.8948 |
103 | 3IP | 0.8948 |
104 | GJG | 0.8946 |
105 | 50C | 0.8944 |
106 | ERZ | 0.8943 |
107 | 531 | 0.8943 |
108 | 848 | 0.8943 |
109 | TPM | 0.8942 |
110 | ESE | 0.8939 |
111 | XYP XYP | 0.8938 |
112 | A5Q | 0.8936 |
113 | LWA | 0.8935 |
114 | JA5 | 0.8928 |
115 | 2QC | 0.8927 |
116 | 8V8 | 0.8927 |
117 | 4CN | 0.8926 |
118 | 5WK | 0.8925 |
119 | 3K1 | 0.8920 |
120 | G8V | 0.8920 |
121 | TYR | 0.8919 |
122 | LR2 | 0.8919 |
123 | BP7 | 0.8914 |
124 | 2L1 | 0.8913 |
125 | X48 | 0.8909 |
126 | SOJ | 0.8908 |
127 | 3CX | 0.8908 |
128 | NPS | 0.8907 |
129 | EQW | 0.8907 |
130 | G14 | 0.8905 |
131 | 4HB | 0.8904 |
132 | NAL | 0.8902 |
133 | 90M | 0.8896 |
134 | XCG | 0.8895 |
135 | 9JT | 0.8894 |
136 | FHV | 0.8892 |
137 | GB5 | 0.8892 |
138 | OJD | 0.8888 |
139 | PPN | 0.8887 |
140 | KW7 | 0.8887 |
141 | A9B | 0.8886 |
142 | F18 | 0.8885 |
143 | 1HP | 0.8885 |
144 | RPN | 0.8883 |
145 | YZ9 | 0.8883 |
146 | 0UL | 0.8883 |
147 | CIU | 0.8882 |
148 | TEF | 0.8881 |
149 | FLP | 0.8875 |
150 | 9VQ | 0.8871 |
151 | BSU | 0.8867 |
152 | LZ5 | 0.8866 |
153 | 92G | 0.8866 |
154 | OQC | 0.8863 |
155 | S7S | 0.8862 |
156 | 2P3 | 0.8862 |
157 | 8CC | 0.8861 |
158 | 4FP | 0.8860 |
159 | 833 | 0.8860 |
160 | 120 | 0.8852 |
161 | PUE | 0.8852 |
162 | C82 | 0.8847 |
163 | U13 | 0.8844 |
164 | AJG | 0.8840 |
165 | 6C5 | 0.8839 |
166 | S0A | 0.8837 |
167 | J27 | 0.8836 |
168 | AJ1 | 0.8835 |
169 | ODK | 0.8833 |
170 | 124 | 0.8833 |
171 | BVS | 0.8829 |
172 | 0DF | 0.8828 |
173 | HXY | 0.8827 |
174 | ZRK | 0.8826 |
175 | 801 | 0.8825 |
176 | LJ5 | 0.8825 |
177 | 1KN | 0.8824 |
178 | ESJ | 0.8823 |
179 | LVP | 0.8821 |
180 | G1L | 0.8819 |
181 | CT0 | 0.8818 |
182 | 121 | 0.8816 |
183 | HNT | 0.8815 |
184 | 4ZF | 0.8812 |
185 | C0V | 0.8811 |
186 | CPZ | 0.8809 |
187 | X6W | 0.8809 |
188 | 0SY | 0.8806 |
189 | 0NJ | 0.8805 |
190 | A18 | 0.8805 |
191 | CR4 | 0.8803 |
192 | 0QA | 0.8802 |
193 | A11 | 0.8801 |
194 | GVY | 0.8801 |
195 | D9Z | 0.8800 |
196 | NY4 | 0.8799 |
197 | 2JX | 0.8799 |
198 | 5TO | 0.8798 |
199 | N9M | 0.8796 |
200 | ZZA | 0.8796 |
201 | 1R5 | 0.8795 |
202 | NE2 | 0.8795 |
203 | S8P | 0.8795 |
204 | M4N | 0.8795 |
205 | 0NX | 0.8789 |
206 | NDD | 0.8788 |
207 | 9NB | 0.8788 |
208 | FCW | 0.8786 |
209 | WV7 | 0.8785 |
210 | TMG | 0.8783 |
211 | MJW | 0.8778 |
212 | EUH | 0.8776 |
213 | S7D | 0.8776 |
214 | VIB | 0.8775 |
215 | GEN | 0.8773 |
216 | 6DQ | 0.8772 |
217 | 0K7 | 0.8772 |
218 | IS2 | 0.8771 |
219 | YE6 | 0.8771 |
220 | H4B | 0.8768 |
221 | 0OK | 0.8763 |
222 | A51 | 0.8763 |
223 | 2J5 | 0.8762 |
224 | 3N0 | 0.8760 |
225 | OSP | 0.8760 |
226 | PTR | 0.8759 |
227 | 4CF | 0.8758 |
228 | NPX | 0.8754 |
229 | 4UM | 0.8750 |
230 | 3NF | 0.8749 |
231 | WLH | 0.8747 |
232 | MW5 | 0.8747 |
233 | AZB | 0.8746 |
234 | GOE | 0.8745 |
235 | BXS | 0.8745 |
236 | A9K | 0.8742 |
237 | B5A | 0.8742 |
238 | QIV | 0.8740 |
239 | BMZ | 0.8740 |
240 | LZ4 | 0.8738 |
241 | 363 | 0.8736 |
242 | 5O6 | 0.8736 |
243 | STL | 0.8734 |
244 | JBZ | 0.8731 |
245 | 536 | 0.8728 |
246 | D8Q | 0.8726 |
247 | C4E | 0.8724 |
248 | 7G2 | 0.8723 |
249 | GLY TYR | 0.8723 |
250 | Y27 | 0.8722 |
251 | QBP | 0.8722 |
252 | GB4 | 0.8718 |
253 | JFS | 0.8718 |
254 | U55 | 0.8717 |
255 | VJJ | 0.8717 |
256 | 1XS | 0.8716 |
257 | XYS XYS | 0.8715 |
258 | JCZ | 0.8713 |
259 | Y3L | 0.8713 |
260 | GHQ | 0.8711 |
261 | J2N | 0.8705 |
262 | 8OB | 0.8704 |
263 | WF4 | 0.8704 |
264 | 92O | 0.8699 |
265 | 3F4 | 0.8699 |
266 | NFZ | 0.8697 |
267 | 0OO | 0.8696 |
268 | 6FB | 0.8696 |
269 | PTB | 0.8691 |
270 | VFJ | 0.8691 |
271 | EAT | 0.8691 |
272 | F02 | 0.8691 |
273 | 1OT | 0.8690 |
274 | 0XR | 0.8688 |
275 | PIQ | 0.8688 |
276 | 4BX | 0.8686 |
277 | H50 | 0.8685 |
278 | GF7 | 0.8682 |
279 | EZL | 0.8679 |
280 | 42R | 0.8676 |
281 | N4E | 0.8672 |
282 | 5CQ | 0.8666 |
283 | 2J1 | 0.8662 |
284 | IQ5 | 0.8658 |
285 | 72H | 0.8657 |
286 | XIF XYP | 0.8657 |
287 | XYP XIF | 0.8657 |
288 | PB2 | 0.8655 |
289 | RYV | 0.8652 |
290 | 2Q0 | 0.8649 |
291 | 0LA | 0.8648 |
292 | IT5 | 0.8647 |
293 | AOY | 0.8647 |
294 | 2M7 | 0.8642 |
295 | 27F | 0.8641 |
296 | AP6 | 0.8638 |
297 | HBI | 0.8634 |
298 | M28 | 0.8634 |
299 | SZ5 | 0.8633 |
300 | 4FE | 0.8631 |
301 | MI2 | 0.8630 |
302 | A7H | 0.8629 |
303 | HMO | 0.8628 |
304 | RGK | 0.8627 |
305 | BGK | 0.8624 |
306 | 28A | 0.8621 |
307 | BQ2 | 0.8621 |
308 | 4AU | 0.8620 |
309 | 0QV | 0.8618 |
310 | 2WU | 0.8617 |
311 | UMP | 0.8615 |
312 | 72G | 0.8615 |
313 | DBE | 0.8614 |
314 | PRL | 0.8613 |
315 | WDW | 0.8608 |
316 | D64 | 0.8604 |
317 | TRP | 0.8602 |
318 | LVY | 0.8601 |
319 | YIP | 0.8601 |
320 | S98 | 0.8600 |
321 | 08C | 0.8599 |
322 | 25F | 0.8599 |
323 | HL6 | 0.8597 |
324 | 9JH | 0.8592 |
325 | 5E5 | 0.8589 |
326 | ZSP | 0.8587 |
327 | ZYC | 0.8586 |
328 | 38E | 0.8584 |
329 | EE8 | 0.8584 |
330 | JTK | 0.8580 |
331 | 4ZW | 0.8579 |
332 | JTE | 0.8577 |
333 | 91F | 0.8569 |
334 | JF5 | 0.8564 |
335 | B15 | 0.8564 |
336 | 5B2 | 0.8560 |
337 | J3B | 0.8560 |
338 | HRM | 0.8555 |
339 | IJ6 | 0.8553 |
340 | M78 | 0.8548 |
341 | BHS | 0.8545 |
342 | K80 | 0.8544 |
343 | A73 | 0.8540 |
344 | MQR | 0.8537 |
345 | LC1 | 0.8532 |
346 | JF8 | 0.8525 |
347 | U4J | 0.8524 |
348 | XIL | 0.8522 |
349 | 22M | 0.8521 |
350 | 5CK | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 3rm4.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3rm4.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JMN | BV0 | 36.7089 |
2 | 6HM1 | AO3 | 39.4937 |