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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 3 families. | |||||
1 | 1TA8 | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
2 | 4LH7 | ic50 = 34 uM | 1X8 | C9 H8 N4 O2 S | c1c2c(c(cn.... |
3 | 4LH6 | ic50 = 77 uM | 1X7 | C8 H6 Br N3 O S | c1c2c(c(cn.... |
4 | 5FPO | - | 10L | C7 H7 N3 | c1cc2cn[nH.... |
5 | 5FPR | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
6 | 4CC6 | ic50 = 0.23 uM | L5Y | C14 H12 F3 N5 O | c1cncc2c1c.... |
7 | 4CC5 | Kd = 38 uM | L5V | C6 H4 Cl N5 | c1c(nc(cn1.... |
8 | 4GLW | Kd = 0.8 uM | 0XT | C8 H10 N6 O | Cc1c(nc2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1TA8 | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
2 | 4LH7 | ic50 = 34 uM | 1X8 | C9 H8 N4 O2 S | c1c2c(c(cn.... |
3 | 4LH6 | ic50 = 77 uM | 1X7 | C8 H6 Br N3 O S | c1c2c(c(cn.... |
4 | 5FPO | - | 10L | C7 H7 N3 | c1cc2cn[nH.... |
5 | 5FPR | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
6 | 4CC6 | ic50 = 0.23 uM | L5Y | C14 H12 F3 N5 O | c1cncc2c1c.... |
7 | 4CC5 | Kd = 38 uM | L5V | C6 H4 Cl N5 | c1c(nc(cn1.... |
8 | 4GLW | Kd = 0.8 uM | 0XT | C8 H10 N6 O | Cc1c(nc2c(.... |
9 | 3PN1 | Ki = 110 nM | IVH | C14 H21 N5 O4 S | CCCCSc1nc(.... |
10 | 4UFZ | - | IWH | C15 H16 N2 O2 | Cc1ccc(c(c.... |
11 | 3UQ8 | Kd = 45 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LGA | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3AP | 1.0000 |
2 | HAI | 1.0000 |
3 | CXL | 1.0000 |
4 | CYH | 1.0000 |
5 | 7EX | 1.0000 |
6 | V1L | 1.0000 |
7 | A2Q | 1.0000 |
8 | WOT | 1.0000 |
9 | MBN | 1.0000 |
10 | HRZ | 1.0000 |
11 | IPH | 1.0000 |
12 | HVK | 1.0000 |
13 | 4AP | 1.0000 |
14 | 9PO | 1.0000 |
15 | 2AP | 1.0000 |
16 | 8CL | 0.9966 |
17 | 2IM | 0.9965 |
18 | GXE | 0.9925 |
19 | HHN | 0.9916 |
20 | TTO | 0.9885 |
21 | L60 | 0.9880 |
22 | 93B | 0.9840 |
23 | HGW | 0.9827 |
24 | PIH | 0.9824 |
25 | BAQ | 0.9808 |
26 | MZ0 | 0.9801 |
27 | 1CB | 0.9793 |
28 | HSL | 0.9792 |
29 | 3MT | 0.9787 |
30 | 5MP | 0.9778 |
31 | 3TR | 0.9775 |
32 | 2MZ | 0.9774 |
33 | 4MZ | 0.9762 |
34 | MR3 | 0.9759 |
35 | MZY | 0.9750 |
36 | 282 | 0.9747 |
37 | AMT | 0.9747 |
38 | GBL | 0.9740 |
39 | HOW | 0.9739 |
40 | 2AI | 0.9727 |
41 | 1MZ | 0.9727 |
42 | DUC | 0.9722 |
43 | 4XX | 0.9712 |
44 | MB3 | 0.9710 |
45 | HYN | 0.9692 |
46 | 5KX | 0.9690 |
47 | HPY | 0.9688 |
48 | CYT | 0.9683 |
49 | JZ6 | 0.9677 |
50 | DGY | 0.9676 |
51 | KSW | 0.9673 |
52 | LG3 | 0.9673 |
53 | ECE | 0.9666 |
54 | URA | 0.9660 |
55 | PCR | 0.9658 |
56 | B20 | 0.9656 |
57 | MMZ | 0.9655 |
58 | 4JU | 0.9655 |
59 | ATQ | 0.9654 |
60 | CEJ | 0.9654 |
61 | BYZ | 0.9650 |
62 | BNZ | 0.9644 |
63 | 3ZQ | 0.9642 |
64 | 3ZS | 0.9634 |
65 | ES3 | 0.9633 |
66 | RCO | 0.9631 |
67 | 26D | 0.9630 |
68 | HQE | 0.9628 |
69 | XIX | 0.9627 |
70 | 0PY | 0.9625 |
71 | 93Q | 0.9623 |
72 | LG4 | 0.9622 |
73 | DMI | 0.9621 |
74 | CRS | 0.9619 |
75 | FPI | 0.9615 |
76 | NVI | 0.9613 |
77 | 8LG | 0.9612 |
78 | P1R | 0.9606 |
79 | HBX | 0.9603 |
80 | 2KT | 0.9601 |
81 | NBE | 0.9601 |
82 | PHZ | 0.9600 |
83 | LG5 | 0.9600 |
84 | 8GF | 0.9599 |
85 | PYF | 0.9595 |
86 | PLQ | 0.9592 |
87 | DTI | 0.9590 |
88 | 4AX | 0.9590 |
89 | 24T | 0.9589 |
90 | CAQ | 0.9588 |
91 | DA1 | 0.9583 |
92 | 25R | 0.9583 |
93 | 3CH | 0.9583 |
94 | PXY | 0.9581 |
95 | 1AN | 0.9580 |
96 | 25T | 0.9578 |
97 | SYN | 0.9578 |
98 | BEW | 0.9576 |
99 | BVF | 0.9575 |
100 | PYZ | 0.9574 |
101 | FP2 | 0.9572 |
102 | 2MH | 0.9562 |
103 | FPN | 0.9553 |
104 | 284 | 0.9550 |
105 | JZ0 | 0.9549 |
106 | ABN | 0.9547 |
107 | 92Z | 0.9544 |
108 | AMC | 0.9543 |
109 | PY7 | 0.9542 |
110 | HIU | 0.9540 |
111 | E60 | 0.9537 |
112 | 280 | 0.9536 |
113 | 938 | 0.9533 |
114 | OXL | 0.9528 |
115 | BML | 0.9528 |
116 | L89 | 0.9528 |
117 | CIG | 0.9528 |
118 | TMZ | 0.9527 |
119 | 4HS | 0.9523 |
120 | 6SP | 0.9522 |
121 | 40O | 0.9519 |
122 | 1DH | 0.9518 |
123 | 285 | 0.9518 |
124 | APY | 0.9514 |
125 | ICC | 0.9510 |
126 | HTS | 0.9510 |
127 | 76X | 0.9510 |
128 | OXM | 0.9508 |
129 | H3M | 0.9501 |
130 | DXX | 0.9500 |
131 | TMT | 0.9498 |
132 | 4CH | 0.9497 |
133 | 2CH | 0.9492 |
134 | 4H2 | 0.9485 |
135 | HEW | 0.9485 |
136 | 4JN | 0.9483 |
137 | HGQ | 0.9481 |
138 | GOL | 0.9479 |
139 | 1MR | 0.9470 |
140 | BVG | 0.9464 |
141 | BVC | 0.9460 |
142 | 2AF | 0.9457 |
143 | 6X8 | 0.9455 |
144 | M3T | 0.9439 |
145 | B3R | 0.9435 |
146 | SER | 0.9434 |
147 | PYJ | 0.9433 |
148 | HHQ | 0.9432 |
149 | 3PY | 0.9425 |
150 | OXE | 0.9420 |
151 | PYR | 0.9419 |
152 | IOL | 0.9419 |
153 | 9CL | 0.9415 |
154 | J1Z | 0.9413 |
155 | CYS | 0.9412 |
156 | 3OH | 0.9403 |
157 | DSN | 0.9402 |
158 | VAL | 0.9396 |
159 | DMG | 0.9395 |
160 | OXD | 0.9394 |
161 | 2EZ | 0.9386 |
162 | 3MC | 0.9384 |
163 | KG7 | 0.9384 |
164 | URF | 0.9381 |
165 | 278 | 0.9381 |
166 | IDH | 0.9370 |
167 | HVQ | 0.9352 |
168 | YAN | 0.9349 |
169 | MLA | 0.9345 |
170 | RP7 | 0.9342 |
171 | LAC | 0.9332 |
172 | MLI | 0.9331 |
173 | B24 | 0.9330 |
174 | RSF | 0.9330 |
175 | DAL | 0.9327 |
176 | GVH | 0.9326 |
177 | BZF | 0.9324 |
178 | MCT | 0.9321 |
179 | HGY | 0.9315 |
180 | WBU | 0.9313 |
181 | BZI | 0.9309 |
182 | 2OP | 0.9309 |
183 | MLM | 0.9308 |
184 | TDR | 0.9304 |
185 | IND | 0.9299 |
186 | 4HO | 0.9297 |
187 | 1MC | 0.9292 |
188 | 3FA | 0.9291 |
189 | C5J | 0.9290 |
190 | FFP | 0.9288 |
191 | 4JP | 0.9286 |
192 | PYD | 0.9286 |
193 | ICP | 0.9286 |
194 | MAK | 0.9284 |
195 | 1PT | 0.9284 |
196 | 0R1 | 0.9282 |
197 | PYG | 0.9276 |
198 | A1U | 0.9272 |
199 | MBD | 0.9269 |
200 | DEN | 0.9269 |
201 | 1AC | 0.9269 |
202 | PYM | 0.9268 |
203 | 1DU | 0.9267 |
204 | MPI | 0.9266 |
205 | FPY | 0.9263 |
206 | JZ3 | 0.9262 |
207 | 0CT | 0.9261 |
208 | GMN | 0.9258 |
209 | 275 | 0.9258 |
210 | LZ1 | 0.9258 |
211 | TM4 | 0.9257 |
212 | FLM | 0.9256 |
213 | KIV | 0.9254 |
214 | MWM | 0.9244 |
215 | 2C9 | 0.9239 |
216 | 2AC | 0.9238 |
217 | ALA | 0.9236 |
218 | 6MH | 0.9231 |
219 | 4ZE | 0.9225 |
220 | NK | 0.9225 |
221 | BR9 | 0.9225 |
222 | BUO | 0.9218 |
223 | 3CE | 0.9218 |
224 | 2MY | 0.9215 |
225 | 4CL | 0.9215 |
226 | 27Y | 0.9215 |
227 | MZG | 0.9213 |
228 | R8A | 0.9210 |
229 | XYD | 0.9209 |
230 | XBZ | 0.9205 |
231 | XYP | 0.9203 |
232 | FOA | 0.9199 |
233 | DUB | 0.9194 |
234 | 5UC | 0.9189 |
235 | DCY | 0.9186 |
236 | 4JJ | 0.9185 |
237 | 2MP | 0.9180 |
238 | 34A | 0.9180 |
239 | YHO | 0.9178 |
240 | IDM | 0.9174 |
241 | JZ2 | 0.9174 |
242 | TH0 | 0.9174 |
243 | OXQ | 0.9173 |
244 | PYC | 0.9171 |
245 | 2RA | 0.9170 |
246 | SMB | 0.9169 |
247 | TM7 | 0.9169 |
248 | 03W | 0.9166 |
249 | 4DX | 0.9166 |
250 | 0R0 | 0.9163 |
251 | HT4 | 0.9162 |
252 | 4JO | 0.9162 |
253 | ABA | 0.9160 |
254 | MWJ | 0.9160 |
255 | HUI | 0.9158 |
256 | NEQ | 0.9156 |
257 | PRI | 0.9156 |
258 | 2CM | 0.9155 |
259 | 5MH | 0.9155 |
260 | 5Y9 | 0.9153 |
261 | WDL | 0.9147 |
262 | OHG | 0.9145 |
263 | MMU | 0.9143 |
264 | AX2 | 0.9139 |
265 | NIS | 0.9137 |
266 | 1XX | 0.9137 |
267 | 6UA | 0.9136 |
268 | 5JC | 0.9135 |
269 | P2D | 0.9130 |
270 | JBN | 0.9128 |
271 | PRO | 0.9128 |
272 | 3MH | 0.9127 |
273 | LXC | 0.9126 |
274 | 43M | 0.9124 |
275 | 2YU | 0.9124 |
276 | NAK | 0.9122 |
277 | 5AC | 0.9121 |
278 | A3B | 0.9120 |
279 | DBB | 0.9120 |
280 | 3AY | 0.9120 |
281 | BAL | 0.9120 |
282 | BEZ | 0.9111 |
283 | THR | 0.9109 |
284 | 5AN | 0.9100 |
285 | TZC | 0.9099 |
286 | MEU | 0.9097 |
287 | NCM | 0.9096 |
288 | NCA | 0.9095 |
289 | BEN | 0.9094 |
290 | 5ZE | 0.9090 |
291 | JZ1 | 0.9085 |
292 | HY3 | 0.9085 |
293 | IUR | 0.9080 |
294 | XYS | 0.9080 |
295 | QOS | 0.9079 |
296 | 286 | 0.9079 |
297 | 2ZX | 0.9077 |
298 | MLT | 0.9073 |
299 | GAG | 0.9072 |
300 | GBD | 0.9071 |
301 | 13X | 0.9071 |
302 | GOA | 0.9067 |
303 | AHR | 0.9064 |
304 | NIO | 0.9062 |
305 | HBA | 0.9057 |
306 | 6PC | 0.9051 |
307 | 0TR | 0.9050 |
308 | SMV | 0.9050 |
309 | YCP | 0.9048 |
310 | BAM | 0.9043 |
311 | JAB | 0.9043 |
312 | 94N | 0.9043 |
313 | PZA | 0.9041 |
314 | 2PC | 0.9040 |
315 | Y8I | 0.9039 |
316 | 39J | 0.9034 |
317 | GLV | 0.9030 |
318 | ALO | 0.9029 |
319 | 23W | 0.9025 |
320 | AKR | 0.9023 |
321 | C2A | 0.9023 |
322 | 265 | 0.9023 |
323 | TLD | 0.9021 |
324 | BP9 | 0.9021 |
325 | NBZ | 0.9019 |
326 | 9X7 | 0.9017 |
327 | LDU | 0.9012 |
328 | IT2 | 0.9010 |
329 | 192 | 0.9010 |
330 | JZ9 | 0.9010 |
331 | VGL | 0.9009 |
332 | 2HA | 0.9006 |
333 | ERH | 0.9004 |
334 | BUA | 0.9004 |
335 | FAH | 0.9000 |
336 | TP5 | 0.8992 |
337 | RIB | 0.8985 |
338 | TFB | 0.8981 |
339 | R2B | 0.8978 |
340 | RIP | 0.8978 |
341 | PZO | 0.8974 |
342 | M58 | 0.8972 |
343 | BR8 | 0.8970 |
344 | HAE | 0.8970 |
345 | JIF | 0.8963 |
346 | 7CZ | 0.8961 |
347 | GXV | 0.8959 |
348 | 3GR | 0.8951 |
349 | C2N | 0.8949 |
350 | ALQ | 0.8949 |
351 | 273 | 0.8949 |
352 | SS2 | 0.8948 |
353 | 2DR | 0.8948 |
354 | LER | 0.8948 |
355 | IMD | 0.8947 |
356 | NIE | 0.8945 |
357 | SAR | 0.8942 |
358 | HUH | 0.8940 |
359 | 1AB | 0.8938 |
360 | UNU | 0.8937 |
361 | PHB | 0.8937 |
362 | NHY | 0.8935 |
363 | TRI | 0.8934 |
364 | GLY | 0.8933 |
365 | C21 | 0.8933 |
366 | BAE | 0.8932 |
367 | NTN | 0.8929 |
368 | 4VP | 0.8929 |
369 | 4JL | 0.8926 |
370 | R1X | 0.8924 |
371 | ADE | 0.8921 |
372 | QSC | 0.8919 |
373 | F50 | 0.8916 |
374 | IMR | 0.8911 |
375 | EDG | 0.8909 |
376 | 0MK | 0.8909 |
377 | 6MP | 0.8908 |
378 | AGU | 0.8906 |
379 | HVB | 0.8905 |
380 | 47J | 0.8905 |
381 | HPA | 0.8904 |
382 | C2B | 0.8903 |
383 | 9DA | 0.8903 |
384 | PPI | 0.8902 |
385 | PM6 | 0.8898 |
386 | HBS | 0.8898 |
387 | NMU | 0.8888 |
388 | MGX | 0.8888 |
389 | FUC | 0.8887 |
390 | JZ5 | 0.8886 |
391 | 23A | 0.8885 |
392 | AKB | 0.8883 |
393 | 64K | 0.8883 |
394 | 7HP | 0.8881 |
395 | 60P | 0.8880 |
396 | FBA | 0.8880 |
397 | T2C | 0.8877 |
398 | H8N | 0.8876 |
399 | 9TY | 0.8876 |
400 | ES4 | 0.8875 |
401 | BP1 | 0.8874 |
402 | TCZ | 0.8867 |
403 | 2A1 | 0.8865 |
404 | HSE | 0.8862 |
405 | F3V | 0.8860 |
406 | 9HX | 0.8859 |
407 | AC0 | 0.8859 |
408 | CHT | 0.8858 |
409 | DAB | 0.8858 |
410 | PBC | 0.8857 |
411 | AAE | 0.8853 |
412 | ARB | 0.8850 |
413 | 4XR | 0.8850 |
414 | ASP | 0.8847 |
415 | ARA | 0.8846 |
416 | DFB | 0.8840 |
417 | 10L | 0.8840 |
418 | 7MH | 0.8839 |
419 | DPR | 0.8835 |
420 | FUL | 0.8832 |
421 | PAE | 0.8830 |
422 | CP | 0.8829 |
423 | 7WA | 0.8825 |
424 | MAE | 0.8825 |
425 | 61G | 0.8824 |
426 | 4JM | 0.8824 |
427 | FLA | 0.8823 |
428 | 270 | 0.8820 |
429 | TF4 | 0.8820 |
430 | R3W | 0.8820 |
431 | IFM | 0.8820 |
432 | M2H | 0.8817 |
433 | HSM | 0.8815 |
434 | AOA | 0.8812 |
435 | YTB | 0.8810 |
436 | MZW | 0.8808 |
437 | MRY | 0.8806 |
438 | SS1 | 0.8806 |
439 | BTE | 0.8799 |
440 | AZF | 0.8798 |
441 | O7U | 0.8797 |
442 | DFU | 0.8795 |
443 | BU4 | 0.8795 |
444 | RUU | 0.8794 |
445 | PCA | 0.8793 |
446 | 2HE | 0.8790 |
447 | 51F | 0.8787 |
448 | F81 | 0.8781 |
449 | P92 | 0.8780 |
450 | KYD | 0.8777 |
451 | OAA | 0.8773 |
452 | HCS | 0.8773 |
453 | T6C | 0.8768 |
454 | IQ0 | 0.8762 |
455 | BMD | 0.8761 |
456 | FW5 | 0.8760 |
457 | 6HQ | 0.8760 |
458 | 2MI | 0.8759 |
459 | OXZ | 0.8759 |
460 | 1WD | 0.8758 |
461 | 3XX | 0.8757 |
462 | 3Z7 | 0.8753 |
463 | PEA | 0.8753 |
464 | LMR | 0.8749 |
465 | JBE | 0.8745 |
466 | FAN | 0.8745 |
467 | ETF | 0.8745 |
468 | SAL | 0.8744 |
469 | RSO | 0.8737 |
470 | CRN | 0.8737 |
471 | IP0 | 0.8736 |
472 | TAY | 0.8732 |
473 | 14J | 0.8730 |
474 | BNS | 0.8727 |
475 | F05 | 0.8724 |
476 | PBE | 0.8722 |
477 | HLT | 0.8721 |
478 | NMJ | 0.8721 |
479 | BUQ | 0.8718 |
480 | AX7 | 0.8717 |
481 | 9YL | 0.8716 |
482 | PPF | 0.8708 |
483 | 3U4 | 0.8706 |
484 | BZX | 0.8705 |
485 | H76 | 0.8704 |
486 | ABE | 0.8703 |
487 | TSZ | 0.8702 |
488 | ITN | 0.8698 |
489 | ATO | 0.8698 |
490 | 6AI | 0.8695 |
491 | DTL | 0.8695 |
492 | PRS | 0.8694 |
493 | DTU | 0.8693 |
494 | FUF | 0.8691 |
495 | FYU | 0.8690 |
496 | HLR | 0.8690 |
497 | 69O | 0.8689 |
498 | 9EW | 0.8687 |
499 | 3HR | 0.8686 |
500 | VNJ | 0.8683 |
501 | CEE | 0.8682 |
502 | 4SV | 0.8681 |
503 | ZZT | 0.8677 |
504 | 271 | 0.8674 |
505 | BE2 | 0.8674 |
506 | QUZ | 0.8673 |
507 | AGK | 0.8670 |
508 | CIZ | 0.8670 |
509 | SVN | 0.8668 |
510 | PXO | 0.8666 |
511 | TBP | 0.8663 |
512 | ALF | 0.8660 |
513 | 8NY | 0.8660 |
514 | SSN | 0.8659 |
515 | H4N | 0.8657 |
516 | 24B | 0.8657 |
517 | ES6 | 0.8652 |
518 | PEL | 0.8649 |
519 | 3SK | 0.8646 |
520 | ITU | 0.8643 |
521 | 0RW | 0.8642 |
522 | 5H1 | 0.8641 |
523 | 3HL | 0.8638 |
524 | PAV | 0.8634 |
525 | NPY | 0.8633 |
526 | ES9 | 0.8631 |
527 | FK1 | 0.8630 |
528 | FUB | 0.8629 |
529 | KOJ | 0.8625 |
530 | HMH | 0.8622 |
531 | 1DQ | 0.8622 |
532 | S76 | 0.8621 |
533 | HV2 | 0.8620 |
534 | 260 | 0.8619 |
535 | HY1 | 0.8618 |
536 | HYP | 0.8615 |
537 | 5MI | 0.8614 |
538 | BXA | 0.8611 |
539 | GIF | 0.8610 |
540 | 11S | 0.8610 |
541 | 5MB | 0.8608 |
542 | 1DW | 0.8608 |
543 | 2K4 | 0.8604 |
544 | SIN | 0.8600 |
545 | BRP | 0.8598 |
546 | Z6J | 0.8590 |
547 | 150 | 0.8584 |
548 | F60 | 0.8581 |
549 | 14O | 0.8581 |
550 | CSS | 0.8574 |
551 | JZ7 | 0.8572 |
552 | 4ZC | 0.8571 |
553 | JKE | 0.8570 |
554 | 45C | 0.8570 |
555 | MTG | 0.8569 |
556 | ZZ3 | 0.8559 |
557 | ABV | 0.8554 |
558 | FCN | 0.8552 |
559 | 261 | 0.8544 |
560 | MRZ | 0.8540 |
561 | 35C | 0.8539 |
562 | HX3 | 0.8528 |
563 | 7WV | 0.8528 |
564 | FCA | 0.8520 |
565 | 2CQ | 0.8520 |
566 | SGL | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 4cc6.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |