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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 1331 families. | |||||
1 | 5R8J | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
2 | 5R85 | - | S7A | C7 H11 F3 N2 O | C1CN(CCN1).... |
3 | 5R8Q | - | JGY | C10 H15 N3 O2 | Cn1ccc(n1).... |
4 | 5R8C | - | M25 | C10 H14 N2 O3 S | CC(=O)NCCc.... |
5 | 5R8N | - | S8J | C11 H13 N5 O2 | CCOc1cccc(.... |
6 | 5R8D | - | S7J | C6 H4 F3 N3 O | c1c(cnc(n1.... |
7 | 5R8O | - | S8P | C10 H14 N2 O2 S | Cc1cc(ns1).... |
8 | 5R8A | - | S7G | C11 H14 N2 O | CC(=O)N[C@.... |
9 | 5R8B | - | K34 | C5 H4 N4 S | c1csc(n1)c.... |
10 | 5R8I | - | A7N | C10 H15 N O | CCOc1ccc(c.... |
11 | 5R8H | - | T91 | C14 H19 N3 O | CC(C)(C)C(.... |
12 | 5R8M | - | S8G | C9 H15 F3 N2 O | C1C[C@H](C.... |
13 | 5R89 | - | S7D | C10 H15 N3 O2 | C[C@H]1CN(.... |
14 | 5R8E | - | S7S | C7 H13 N5 O | CCCC(=O)Nc.... |
15 | 5R8G | - | S7V | C12 H17 N O2 | c1ccc(cc1).... |
16 | 5R8K | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
17 | 5R8F | - | K3Y | C10 H16 N4 O | Cn1cc(c(n1.... |
18 | 5R8L | - | NY4 | C12 H16 N2 O | C[C@@H](c1.... |
19 | 5R88 | - | LWA | C12 H14 N2 O3 | c1cc(ccc1C.... |
20 | 5R86 | - | GT4 | C9 H11 N O3 | COCC(=O)Nc.... |
21 | 5R8P | - | S8V | C8 H15 N O | C1COC[C@@H.... |
22 | 5R87 | - | K0G | C12 H11 N3 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5R8J | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
2 | 5R85 | - | S7A | C7 H11 F3 N2 O | C1CN(CCN1).... |
3 | 5R8Q | - | JGY | C10 H15 N3 O2 | Cn1ccc(n1).... |
4 | 5R8C | - | M25 | C10 H14 N2 O3 S | CC(=O)NCCc.... |
5 | 5R8N | - | S8J | C11 H13 N5 O2 | CCOc1cccc(.... |
6 | 5R8D | - | S7J | C6 H4 F3 N3 O | c1c(cnc(n1.... |
7 | 5R8O | - | S8P | C10 H14 N2 O2 S | Cc1cc(ns1).... |
8 | 5R8A | - | S7G | C11 H14 N2 O | CC(=O)N[C@.... |
9 | 5R8B | - | K34 | C5 H4 N4 S | c1csc(n1)c.... |
10 | 5R8I | - | A7N | C10 H15 N O | CCOc1ccc(c.... |
11 | 5R8H | - | T91 | C14 H19 N3 O | CC(C)(C)C(.... |
12 | 5R8M | - | S8G | C9 H15 F3 N2 O | C1C[C@H](C.... |
13 | 5R89 | - | S7D | C10 H15 N3 O2 | C[C@H]1CN(.... |
14 | 5R8E | - | S7S | C7 H13 N5 O | CCCC(=O)Nc.... |
15 | 5R8G | - | S7V | C12 H17 N O2 | c1ccc(cc1).... |
16 | 5R8K | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
17 | 5R8F | - | K3Y | C10 H16 N4 O | Cn1cc(c(n1.... |
18 | 5R8L | - | NY4 | C12 H16 N2 O | C[C@@H](c1.... |
19 | 5R88 | - | LWA | C12 H14 N2 O3 | c1cc(ccc1C.... |
20 | 5R86 | - | GT4 | C9 H11 N O3 | COCC(=O)Nc.... |
21 | 5R8P | - | S8V | C8 H15 N O | C1COC[C@@H.... |
22 | 5R87 | - | K0G | C12 H11 N3 O | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | S7D | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | YIP | 0.9523 |
2 | 3XH | 0.9493 |
3 | FZM | 0.9342 |
4 | XCG | 0.9318 |
5 | KLS | 0.9313 |
6 | S0D | 0.9299 |
7 | EXG | 0.9278 |
8 | TMG | 0.9262 |
9 | RE4 | 0.9247 |
10 | RCV | 0.9239 |
11 | CUQ | 0.9232 |
12 | FPL | 0.9228 |
13 | 0OP | 0.9224 |
14 | 68B | 0.9219 |
15 | FER | 0.9216 |
16 | AX5 | 0.9206 |
17 | QME | 0.9202 |
18 | XI7 | 0.9200 |
19 | YIH | 0.9199 |
20 | JGY | 0.9183 |
21 | GNW | 0.9154 |
22 | V15 | 0.9148 |
23 | A51 | 0.9143 |
24 | 5O5 | 0.9139 |
25 | S8G | 0.9129 |
26 | BVS | 0.9125 |
27 | HLP | 0.9118 |
28 | 2PV | 0.9112 |
29 | DA3 | 0.9108 |
30 | C4E | 0.9105 |
31 | I2E | 0.9105 |
32 | 363 | 0.9104 |
33 | NK5 | 0.9090 |
34 | EQA | 0.9090 |
35 | DHC | 0.9090 |
36 | 39Z | 0.9087 |
37 | VJJ | 0.9086 |
38 | H7S | 0.9085 |
39 | EV2 | 0.9082 |
40 | DY8 | 0.9080 |
41 | H35 | 0.9078 |
42 | BZM | 0.9075 |
43 | OJD | 0.9073 |
44 | 6J5 | 0.9073 |
45 | JAH | 0.9069 |
46 | 3VW | 0.9064 |
47 | BB4 | 0.9062 |
48 | DAH | 0.9056 |
49 | GOE | 0.9054 |
50 | 3IL | 0.9051 |
51 | B5A | 0.9050 |
52 | MIL | 0.9046 |
53 | 5B2 | 0.9046 |
54 | EGV | 0.9044 |
55 | 6SD | 0.9042 |
56 | 7ZL | 0.9042 |
57 | 6L6 | 0.9038 |
58 | ARG | 0.9037 |
59 | 11X | 0.9031 |
60 | 6C4 | 0.9029 |
61 | FHV | 0.9027 |
62 | AMR | 0.9027 |
63 | 5AD | 0.9024 |
64 | NIY | 0.9024 |
65 | 2L2 | 0.9019 |
66 | KWB | 0.9019 |
67 | 92O | 0.9017 |
68 | FY8 | 0.9016 |
69 | 6DQ | 0.9013 |
70 | 833 | 0.9012 |
71 | 2FX | 0.9011 |
72 | 0QA | 0.9010 |
73 | IAC | 0.9005 |
74 | TRP | 0.9005 |
75 | KPV | 0.9002 |
76 | GGB | 0.9000 |
77 | D8Y | 0.8999 |
78 | E8U | 0.8997 |
79 | J4K | 0.8996 |
80 | M5E | 0.8995 |
81 | S7G | 0.8989 |
82 | S98 | 0.8987 |
83 | LR2 | 0.8986 |
84 | VC3 | 0.8986 |
85 | MJW | 0.8985 |
86 | P80 | 0.8979 |
87 | TJM | 0.8977 |
88 | 0OK | 0.8976 |
89 | 2PK | 0.8976 |
90 | 3D8 | 0.8967 |
91 | 3IP | 0.8966 |
92 | 5WN | 0.8964 |
93 | 5WK | 0.8961 |
94 | LVD | 0.8959 |
95 | 4BX | 0.8958 |
96 | SRO | 0.8956 |
97 | PRO GLY | 0.8956 |
98 | 3AK | 0.8956 |
99 | 2P3 | 0.8955 |
100 | 6P3 | 0.8953 |
101 | D4G | 0.8953 |
102 | 7VY | 0.8950 |
103 | 9JT | 0.8949 |
104 | 4FF | 0.8949 |
105 | 4OG | 0.8946 |
106 | ASE | 0.8945 |
107 | A6Z | 0.8944 |
108 | CBE | 0.8942 |
109 | 4Z9 | 0.8939 |
110 | 3D3 | 0.8939 |
111 | Y0V | 0.8938 |
112 | 6FG | 0.8934 |
113 | FNA | 0.8930 |
114 | 6MW | 0.8928 |
115 | 2M7 | 0.8927 |
116 | GZ2 | 0.8927 |
117 | LZ5 | 0.8926 |
118 | HBI | 0.8926 |
119 | IOS | 0.8924 |
120 | C82 | 0.8923 |
121 | 7MW | 0.8923 |
122 | 8CC | 0.8922 |
123 | 0ON | 0.8921 |
124 | MMS | 0.8920 |
125 | A5Q | 0.8920 |
126 | 12R | 0.8919 |
127 | Y3L | 0.8916 |
128 | H75 | 0.8912 |
129 | M4N | 0.8909 |
130 | TPM | 0.8908 |
131 | AC2 | 0.8906 |
132 | GHQ | 0.8904 |
133 | 7EH | 0.8902 |
134 | SZ7 | 0.8901 |
135 | WCU | 0.8898 |
136 | RK4 | 0.8898 |
137 | ZIP | 0.8898 |
138 | ITW | 0.8897 |
139 | D9Z | 0.8897 |
140 | IYR | 0.8897 |
141 | 9UL | 0.8891 |
142 | K48 | 0.8891 |
143 | D8Q | 0.8891 |
144 | 1PS | 0.8890 |
145 | AVO | 0.8889 |
146 | FCW | 0.8885 |
147 | RKV | 0.8885 |
148 | RNK | 0.8884 |
149 | KF5 | 0.8881 |
150 | JOV | 0.8879 |
151 | IEE | 0.8879 |
152 | 9FH | 0.8878 |
153 | NAL | 0.8877 |
154 | 9VQ | 0.8874 |
155 | X2M | 0.8873 |
156 | 22T | 0.8873 |
157 | K7H | 0.8872 |
158 | H4B | 0.8871 |
159 | YTZ | 0.8869 |
160 | OLU | 0.8867 |
161 | QBP | 0.8866 |
162 | A4V | 0.8863 |
163 | CC5 | 0.8863 |
164 | FWD | 0.8862 |
165 | 5TO | 0.8860 |
166 | 3IB | 0.8860 |
167 | DBS | 0.8858 |
168 | 0NX | 0.8858 |
169 | 6C5 | 0.8857 |
170 | 2JX | 0.8857 |
171 | IOP | 0.8854 |
172 | F02 | 0.8853 |
173 | 3D1 | 0.8851 |
174 | 7O4 | 0.8849 |
175 | 4FP | 0.8848 |
176 | JMG | 0.8848 |
177 | 5E5 | 0.8847 |
178 | 0UL | 0.8846 |
179 | FF2 | 0.8845 |
180 | FT6 | 0.8844 |
181 | DXK | 0.8843 |
182 | ZHA | 0.8842 |
183 | ZEA | 0.8842 |
184 | 2D2 | 0.8839 |
185 | MKN | 0.8834 |
186 | 4AF | 0.8833 |
187 | 27K | 0.8832 |
188 | G14 | 0.8829 |
189 | 2LT | 0.8826 |
190 | RES | 0.8824 |
191 | KLV | 0.8823 |
192 | S7V | 0.8822 |
193 | PBA | 0.8820 |
194 | SU9 | 0.8820 |
195 | ILO | 0.8819 |
196 | HRM | 0.8819 |
197 | HAR | 0.8818 |
198 | 1XS | 0.8818 |
199 | BSU | 0.8818 |
200 | LJ4 | 0.8817 |
201 | LSQ | 0.8817 |
202 | PQS | 0.8817 |
203 | HC4 | 0.8817 |
204 | Q5M | 0.8817 |
205 | KMY | 0.8816 |
206 | S7P | 0.8814 |
207 | YE6 | 0.8813 |
208 | PFF | 0.8812 |
209 | 531 | 0.8811 |
210 | LR8 | 0.8811 |
211 | ZYC | 0.8806 |
212 | AOJ | 0.8805 |
213 | ET0 | 0.8805 |
214 | 5GT | 0.8804 |
215 | LFQ | 0.8804 |
216 | GJK | 0.8803 |
217 | 4NS | 0.8803 |
218 | JFM | 0.8803 |
219 | 36M | 0.8801 |
220 | 2WU | 0.8800 |
221 | X48 | 0.8799 |
222 | 2GQ | 0.8793 |
223 | P1J | 0.8793 |
224 | 4G2 | 0.8791 |
225 | CTE | 0.8791 |
226 | NFZ | 0.8790 |
227 | MUX | 0.8789 |
228 | 1Q4 | 0.8787 |
229 | 2L1 | 0.8786 |
230 | 657 | 0.8784 |
231 | 0XR | 0.8781 |
232 | IBP | 0.8778 |
233 | 613 | 0.8776 |
234 | SB7 | 0.8775 |
235 | AVX | 0.8774 |
236 | HSA | 0.8771 |
237 | 14W | 0.8771 |
238 | 96Z | 0.8771 |
239 | 5C1 | 0.8771 |
240 | 9BF | 0.8768 |
241 | P2L | 0.8766 |
242 | EUH | 0.8765 |
243 | YOF | 0.8764 |
244 | M6H | 0.8764 |
245 | TYR | 0.8763 |
246 | MH5 | 0.8763 |
247 | PLP | 0.8761 |
248 | KYN | 0.8760 |
249 | TB8 | 0.8758 |
250 | LJ1 | 0.8756 |
251 | LJ2 | 0.8755 |
252 | ENO | 0.8754 |
253 | H2B | 0.8752 |
254 | API | 0.8749 |
255 | JVD | 0.8746 |
256 | I58 | 0.8746 |
257 | N9J | 0.8745 |
258 | 5F1 | 0.8745 |
259 | 4NP | 0.8744 |
260 | RVE | 0.8743 |
261 | G6P | 0.8740 |
262 | RA7 | 0.8737 |
263 | 78P | 0.8735 |
264 | M83 | 0.8735 |
265 | GG8 | 0.8734 |
266 | BVA | 0.8732 |
267 | 3N0 | 0.8732 |
268 | TSR | 0.8729 |
269 | F18 | 0.8727 |
270 | RSV | 0.8726 |
271 | STL | 0.8725 |
272 | 3VQ | 0.8723 |
273 | CL9 | 0.8719 |
274 | 1L5 | 0.8718 |
275 | M5H | 0.8714 |
276 | 4MB | 0.8712 |
277 | TZP | 0.8712 |
278 | GO8 | 0.8710 |
279 | M3L | 0.8710 |
280 | 3VX | 0.8709 |
281 | GA2 | 0.8708 |
282 | 5O6 | 0.8707 |
283 | TU0 | 0.8705 |
284 | Z70 | 0.8703 |
285 | ZZA | 0.8702 |
286 | CWD | 0.8702 |
287 | 4ZD | 0.8702 |
288 | 5RP | 0.8699 |
289 | 397 | 0.8698 |
290 | L15 | 0.8697 |
291 | AZY | 0.8696 |
292 | KLE | 0.8694 |
293 | 4I8 | 0.8693 |
294 | DTY | 0.8693 |
295 | 6ZX | 0.8686 |
296 | GLY GLY GLY | 0.8684 |
297 | U13 | 0.8683 |
298 | 2LW | 0.8680 |
299 | L1T | 0.8679 |
300 | C53 | 0.8678 |
301 | BWD | 0.8677 |
302 | GNG | 0.8676 |
303 | LXP | 0.8675 |
304 | BGP | 0.8674 |
305 | 5KJ | 0.8670 |
306 | GB4 | 0.8664 |
307 | SIJ | 0.8663 |
308 | EYV | 0.8662 |
309 | C0H | 0.8659 |
310 | XYP XIF | 0.8657 |
311 | 6NZ | 0.8656 |
312 | AHL | 0.8655 |
313 | PLR | 0.8652 |
314 | PPN | 0.8648 |
315 | J9Y | 0.8642 |
316 | HPP | 0.8640 |
317 | A5P | 0.8638 |
318 | HXY | 0.8634 |
319 | Q4G | 0.8633 |
320 | RE2 | 0.8633 |
321 | 47V | 0.8632 |
322 | TBJ | 0.8632 |
323 | BVB | 0.8631 |
324 | J38 | 0.8630 |
325 | 4AB | 0.8628 |
326 | 536 | 0.8626 |
327 | SSY | 0.8626 |
328 | RDM | 0.8625 |
329 | GGG | 0.8624 |
330 | IWD | 0.8624 |
331 | B41 | 0.8623 |
332 | LGT | 0.8618 |
333 | PNP | 0.8618 |
334 | 37E | 0.8617 |
335 | 3KJ | 0.8616 |
336 | VBC | 0.8615 |
337 | DT7 | 0.8613 |
338 | 8YH | 0.8611 |
339 | 94X | 0.8608 |
340 | 6Q3 | 0.8608 |
341 | BL0 | 0.8607 |
342 | PPT | 0.8606 |
343 | BHS | 0.8600 |
344 | NXB | 0.8599 |
345 | JSX | 0.8596 |
346 | GJB | 0.8593 |
347 | MDR | 0.8593 |
348 | 38E | 0.8592 |
349 | 848 | 0.8592 |
350 | NPI | 0.8592 |
351 | 5TT | 0.8591 |
352 | P81 | 0.8591 |
353 | ITE | 0.8589 |
354 | K4V | 0.8585 |
355 | PRH | 0.8584 |
356 | PTB | 0.8584 |
357 | 0LA | 0.8581 |
358 | S1D | 0.8580 |
359 | T03 | 0.8580 |
360 | CIR | 0.8579 |
361 | NMM | 0.8573 |
362 | ZEZ | 0.8571 |
363 | CHQ | 0.8570 |
364 | ZIQ | 0.8569 |
365 | DA2 | 0.8567 |
366 | NKI | 0.8566 |
367 | GB5 | 0.8564 |
368 | P93 | 0.8563 |
369 | N4E | 0.8555 |
370 | AVA | 0.8553 |
371 | 1YO | 0.8552 |
372 | VUR | 0.8550 |
373 | LVP | 0.8535 |
374 | 6NJ | 0.8534 |
375 | HO6 | 0.8534 |
376 | YZ9 | 0.8532 |
377 | ABH | 0.8528 |
378 | 8V8 | 0.8525 |
379 | 0RY | 0.8524 |
380 | TH4 | 0.8521 |
381 | MP5 | 0.8518 |
382 | LHY | 0.8512 |
383 | 0F3 | 0.8507 |
384 | DIH | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 5r8q.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |