Receptor
PDB id Resolution Class Description Source Keywords
4U43 2.18 Å EC: 2.7.11.1 MAP4K4 IN COMPLEX WITH INHIBITOR (COMPOUND 6) HOMO SAPIENS KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED IDENTIFICATION AND OPTIMIZATION OF A POTENT PYRROLO[2,1-F][1,2,4]TRIAZINE MAP4K4 INHIBIT BIOORG.MED.CHEM.LETT. V. 24 4546 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3D8 A:401;
Valid;
none;
Kd = 48 uM
211.223 C11 H9 N5 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U44 2.43 Å EC: 2.7.11.1 MAP4K4 IN COMPLEX WITH INHIBITOR (COMPOUND 16) HOMO SAPIENS KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED IDENTIFICATION AND OPTIMIZATION OF A POTENT PYRROLO[2,1-F][1,2,4]TRIAZINE MAP4K4 INHIBIT BIOORG.MED.CHEM.LETT. V. 24 4546 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
2 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
3 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
4 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
5 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
6 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
2 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
3 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
4 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
5 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
6 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
7 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 6NFY Kd = 16 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
2 6CQD - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 6CQF ic50 = 0.0045 uM F97 C21 H26 F2 N8 CC(C)n1c2c....
4 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
5 5VEE ic50 = 779 nM 981 C25 H23 Cl2 F N6 O CCN1c2c(cn....
6 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
7 6WLY - ARG LYS LYS ARG TYR THR VAL VAL GLY ASN n/a n/a
8 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
9 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
10 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
11 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
12 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
13 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
14 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
15 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
16 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
17 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 6YG5 - IHH C22 H19 N7 c1ccc2c(c1....
19 6YZ4 - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
20 6YG4 - SU9 C13 H11 N3 O2 COc1ccc2c(....
21 5DH3 ic50 = 38.1 nM 5BS C17 H16 N6 O3 S2 CN1c2ccsc2....
22 4O0R Ki = 0.036 uM 7KC C25 H30 N8 O S Cc1nc2ccsc....
23 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
24 3ALN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
26 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
27 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
28 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
29 3ZLY ic50 = 300 uM YSO C8 H6 N4 c1cc(c2c(c....
30 3ZLS ic50 = 39.4 uM 92P C9 H8 N2 O2 COC(=O)c1c....
31 3ZLW ic50 = 198 uM MT8 C13 H15 N O2 C[C@]1(CCN....
32 3ZLX ic50 = 157 uM 5EZ C14 H15 Cl N2 O2 c1c2c(cc(c....
33 1S9J - BBM C16 H13 Br F3 I N2 O4 c1cc(c(cc1....
34 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3E8N ic50 = 19 nM VRA C19 H20 F3 I N2 O5 S COc1cc(c(c....
36 3EQG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 3ZM4 ic50 = 1.1 uM 22T C13 H13 Cl N2 O2 c1c2c(cc(c....
38 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
39 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
40 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
41 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3D8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3D8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3D8; Similar ligands found: 846
No: Ligand Similarity coefficient
1 C4E 0.9810
2 4GU 0.9738
3 12R 0.9705
4 9JT 0.9682
5 LR2 0.9599
6 7L4 0.9525
7 F40 0.9517
8 5E5 0.9513
9 6J5 0.9510
10 6J9 0.9510
11 FNA 0.9504
12 CMG 0.9503
13 MUK 0.9501
14 5FL 0.9497
15 2GQ 0.9494
16 DFL 0.9493
17 20D 0.9490
18 TRP 0.9485
19 5F8 0.9458
20 5B2 0.9455
21 0SY 0.9453
22 AOY 0.9447
23 1V1 0.9443
24 3B4 0.9442
25 DXK 0.9432
26 A73 0.9422
27 WA2 0.9422
28 6DQ 0.9421
29 AVX 0.9416
30 CMU 0.9414
31 848 0.9413
32 ZEZ 0.9410
33 47V 0.9406
34 H35 0.9405
35 ZRK 0.9402
36 9CE 0.9399
37 WLH 0.9394
38 78Y 0.9393
39 3F4 0.9392
40 QUB 0.9389
41 RGK 0.9388
42 ZIP 0.9388
43 NKI 0.9388
44 SZ5 0.9383
45 KWB 0.9380
46 CX6 0.9378
47 PIQ 0.9377
48 FY8 0.9377
49 P4L 0.9369
50 3IP 0.9366
51 833 0.9366
52 5TZ 0.9366
53 28A 0.9365
54 2D2 0.9365
55 25F 0.9358
56 RK4 0.9355
57 IDZ 0.9340
58 3GX 0.9338
59 ONZ 0.9336
60 UAY 0.9336
61 4FF 0.9335
62 0UL 0.9335
63 NIY 0.9334
64 LL1 0.9334
65 5NN 0.9329
66 AVA 0.9329
67 LI7 0.9327
68 3WO 0.9326
69 3WN 0.9326
70 8M5 0.9324
71 MBP 0.9323
72 JCZ 0.9318
73 1Q4 0.9318
74 L2K 0.9313
75 A5H 0.9311
76 3IL 0.9310
77 MJW 0.9306
78 ZRL 0.9295
79 4AU 0.9283
80 2QU 0.9281
81 MHB 0.9279
82 4ZF 0.9278
83 U13 0.9273
84 3AK 0.9269
85 1ZC 0.9265
86 QC1 0.9264
87 3IB 0.9261
88 2LT 0.9260
89 SQM 0.9257
90 LI4 0.9251
91 5VU 0.9250
92 DDC 0.9249
93 LTN 0.9249
94 0DF 0.9248
95 3WK 0.9247
96 FHV 0.9246
97 B5A 0.9245
98 TOM 0.9242
99 X2M 0.9241
100 5V7 0.9239
101 F18 0.9239
102 IQQ 0.9239
103 DTR 0.9238
104 IOP 0.9238
105 5P3 0.9237
106 9F8 0.9236
107 Q4G 0.9236
108 2P3 0.9234
109 FYR 0.9234
110 1FL 0.9230
111 M3W 0.9224
112 VM1 0.9224
113 NW1 0.9221
114 TOH 0.9219
115 3Y7 0.9216
116 0OP 0.9216
117 A51 0.9215
118 S1D 0.9213
119 0FR 0.9210
120 L5D 0.9210
121 AUY 0.9210
122 5ER 0.9209
123 ZEA 0.9207
124 5F5 0.9206
125 XDN XYP 0.9206
126 YIP 0.9206
127 JSX 0.9206
128 XYP XDN 0.9206
129 1V3 0.9205
130 6BK 0.9203
131 7EH 0.9202
132 VBC 0.9202
133 1V4 0.9200
134 0OK 0.9199
135 A6W 0.9199
136 9BF 0.9198
137 GNW 0.9198
138 0K7 0.9195
139 2J1 0.9194
140 96Z 0.9193
141 0LO 0.9192
142 0ON 0.9191
143 EMU 0.9188
144 5S9 0.9188
145 363 0.9185
146 AGI 0.9179
147 LZ5 0.9177
148 E9L 0.9175
149 C0W 0.9175
150 FER 0.9175
151 MR6 0.9172
152 28B 0.9171
153 VT3 0.9171
154 RKV 0.9169
155 XIF XYP 0.9168
156 MXD 0.9166
157 68B 0.9165
158 4F8 0.9164
159 HH6 0.9161
160 BBY 0.9158
161 2JX 0.9157
162 FCW 0.9157
163 2QV 0.9155
164 TH4 0.9155
165 11X 0.9154
166 57D 0.9152
167 ELH 0.9149
168 YE7 0.9145
169 MMS 0.9142
170 D8Y 0.9141
171 38E 0.9140
172 5WT 0.9140
173 BPY 0.9139
174 LUM 0.9139
175 CDJ 0.9137
176 W8L 0.9136
177 3JC 0.9136
178 6H2 0.9136
179 EQA 0.9135
180 ID8 0.9134
181 4G2 0.9132
182 H2W 0.9130
183 2J5 0.9128
184 22L 0.9128
185 UN4 0.9127
186 FUZ 0.9127
187 II4 0.9125
188 6MW 0.9124
189 S7V 0.9123
190 Q5M 0.9122
191 3SU 0.9121
192 C0H 0.9121
193 BP7 0.9120
194 XI7 0.9116
195 HA6 0.9115
196 49P 0.9114
197 PRL 0.9114
198 XYP XIF 0.9114
199 I2E 0.9110
200 H4B 0.9110
201 XCG 0.9110
202 X48 0.9109
203 14W 0.9107
204 92O 0.9107
205 BGU 0.9107
206 MR4 0.9106
207 5F1 0.9105
208 XYS XYP 0.9103
209 HO6 0.9102
210 6TJ 0.9101
211 Q0K 0.9101
212 1HP 0.9101
213 M83 0.9100
214 BZE 0.9100
215 MW5 0.9098
216 ZYV 0.9097
217 AJD 0.9097
218 ZZA 0.9095
219 S60 0.9095
220 5AD 0.9093
221 NRA 0.9092
222 2PV 0.9092
223 NAR 0.9090
224 L3L 0.9089
225 1V8 0.9089
226 6C8 0.9085
227 LJ3 0.9085
228 G14 0.9082
229 2KU 0.9079
230 2PK 0.9078
231 6QT 0.9078
232 DFV 0.9078
233 H75 0.9073
234 EAT 0.9073
235 XDL XYP 0.9070
236 XIL 0.9070
237 1XS 0.9070
238 7G2 0.9069
239 6J3 0.9066
240 FT6 0.9066
241 NAL 0.9065
242 CC5 0.9064
243 5WN 0.9062
244 91F 0.9061
245 THM 0.9060
246 V2Z 0.9060
247 DNQ 0.9059
248 MMJ 0.9058
249 9UL 0.9058
250 L21 0.9057
251 GJK 0.9055
252 G6P 0.9055
253 BG6 0.9053
254 5TO 0.9051
255 A63 0.9051
256 1SF 0.9047
257 XYP XYP 0.9045
258 P4T 0.9043
259 27F 0.9041
260 HHV 0.9040
261 AUV 0.9040
262 TMG 0.9040
263 JF8 0.9040
264 CBE 0.9039
265 AC2 0.9038
266 7ZL 0.9037
267 P80 0.9033
268 GZ2 0.9029
269 DHC 0.9028
270 ZHA 0.9026
271 H7S 0.9025
272 SSY 0.9025
273 8CC 0.9025
274 1A5 0.9024
275 OLU 0.9024
276 6HP 0.9024
277 F5C 0.9023
278 4CN 0.9023
279 3EB 0.9023
280 FQX 0.9023
281 39Z 0.9022
282 XEV 0.9019
283 8G6 0.9019
284 56N 0.9018
285 TB8 0.9017
286 DBQ 0.9016
287 RCV 0.9014
288 OSB 0.9014
289 B21 0.9013
290 26C 0.9012
291 LEL 0.9012
292 7VF 0.9011
293 ASE 0.9009
294 K48 0.9009
295 LU2 0.9008
296 4K2 0.9008
297 AP6 0.9005
298 NIF 0.9005
299 S98 0.9004
300 Q2S 0.9004
301 ARJ 0.9003
302 4Z9 0.9002
303 1FE 0.9001
304 ERZ 0.8999
305 XDK 0.8999
306 NQ7 0.8997
307 108 0.8996
308 QKU 0.8993
309 NK5 0.8993
310 272 0.8993
311 L1T 0.8992
312 DAH 0.8991
313 AKD 0.8990
314 MFR 0.8989
315 XYS XYS 0.8988
316 S0D 0.8987
317 EVO 0.8986
318 P2L 0.8986
319 O9Q 0.8986
320 55D 0.8986
321 U14 0.8985
322 HBI 0.8985
323 O9Z 0.8985
324 8HH 0.8984
325 NIR 0.8979
326 KYN 0.8977
327 OCZ 0.8975
328 B4L 0.8973
329 6NJ 0.8972
330 08C 0.8972
331 3VQ 0.8970
332 HRM 0.8968
333 GZV 0.8968
334 NOC 0.8967
335 NU3 0.8967
336 S7D 0.8967
337 NYJ 0.8967
338 2WU 0.8966
339 CX4 0.8965
340 XYP XYS 0.8965
341 LFQ 0.8963
342 X6W 0.8961
343 P93 0.8960
344 TJM 0.8960
345 U19 0.8960
346 RSV 0.8958
347 MR5 0.8958
348 EST 0.8957
349 TLF 0.8956
350 FZM 0.8956
351 PUE 0.8956
352 NE2 0.8955
353 FC2 0.8955
354 JFS 0.8955
355 4R1 0.8954
356 AZY 0.8954
357 EYY 0.8953
358 C9E 0.8953
359 G30 0.8953
360 RDM 0.8952
361 6C5 0.8951
362 LRW 0.8951
363 6FB 0.8950
364 GB4 0.8950
365 U4J 0.8949
366 C53 0.8948
367 PXP 0.8948
368 XYP AHR 0.8947
369 H2B 0.8946
370 1UZ 0.8946
371 RVE 0.8943
372 G2V 0.8943
373 B23 0.8941
374 QIV 0.8940
375 IMK 0.8940
376 P9I 0.8940
377 7M2 0.8940
378 IDD 0.8938
379 8D6 0.8937
380 5WK 0.8937
381 4Z1 0.8937
382 KLE 0.8935
383 PLP 0.8935
384 3D3 0.8934
385 IK1 0.8933
386 ODK 0.8932
387 GA2 0.8931
388 M4N 0.8931
389 HWH 0.8931
390 EYM 0.8930
391 GAT 0.8930
392 6FG 0.8929
393 PMP 0.8928
394 O2Y 0.8928
395 CNI 0.8926
396 UN3 0.8925
397 LLG 0.8924
398 GXG 0.8924
399 ITE 0.8923
400 OX2 0.8923
401 FCD 0.8919
402 K80 0.8919
403 KP2 0.8919
404 8UY 0.8918
405 CZ0 0.8918
406 5E4 0.8917
407 KLS 0.8917
408 BHS 0.8914
409 OTA 0.8914
410 HRD 0.8912
411 6EN 0.8912
412 ANC 0.8911
413 ZME 0.8911
414 4AB 0.8910
415 M6P 0.8909
416 6XC 0.8909
417 Y3L 0.8909
418 5I5 0.8906
419 795 0.8905
420 TH1 0.8905
421 MUX 0.8905
422 4XF 0.8904
423 397 0.8903
424 JF5 0.8903
425 CWE 0.8903
426 0QV 0.8902
427 3VX 0.8901
428 IQZ 0.8900
429 ZSP 0.8900
430 2UD 0.8900
431 O9T 0.8899
432 BQ2 0.8898
433 FF2 0.8897
434 DUR 0.8896
435 9X3 0.8894
436 1ER 0.8894
437 CHQ 0.8894
438 AZC 0.8894
439 RGG 0.8893
440 5P7 0.8893
441 JBZ 0.8891
442 3WL 0.8891
443 6JO 0.8891
444 PCQ 0.8889
445 N91 0.8888
446 KF5 0.8887
447 041 0.8886
448 LSQ 0.8886
449 ZYC 0.8886
450 A9B 0.8884
451 6C9 0.8884
452 4L2 0.8883
453 3C5 0.8881
454 JRO 0.8880
455 KLV 0.8879
456 1BY 0.8878
457 DBS 0.8878
458 JMG 0.8878
459 78U 0.8878
460 2GD 0.8878
461 7LU 0.8877
462 PQT 0.8877
463 JP2 0.8877
464 TCR 0.8876
465 ZYQ 0.8876
466 27M 0.8876
467 N7I 0.8875
468 PUR 0.8874
469 BRY 0.8873
470 YE6 0.8873
471 0X2 0.8873
472 6NZ 0.8872
473 1DR 0.8870
474 BIK 0.8870
475 5FD 0.8870
476 3LJ 0.8868
477 PJK 0.8868
478 GJB 0.8867
479 QR2 0.8865
480 JAH 0.8864
481 JTA 0.8863
482 7G0 0.8862
483 IIH 0.8862
484 697 0.8860
485 4GP 0.8860
486 4NR 0.8860
487 QIF 0.8859
488 WS7 0.8859
489 N1E 0.8857
490 DX7 0.8857
491 GXD 0.8856
492 2FX 0.8856
493 ADN 0.8856
494 97K 0.8855
495 CK2 0.8855
496 CJZ 0.8854
497 7FZ 0.8854
498 5WW 0.8853
499 U12 0.8853
500 M3E 0.8853
501 1AJ 0.8852
502 PRH 0.8852
503 B4O 0.8851
504 LJ1 0.8851
505 5H6 0.8850
506 LVP 0.8850
507 344 0.8850
508 6C4 0.8849
509 IKY 0.8849
510 AMR 0.8848
511 WDW 0.8848
512 BJ4 0.8847
513 92G 0.8847
514 NFZ 0.8845
515 78P 0.8845
516 5C1 0.8842
517 GNV 0.8842
518 9PL 0.8842
519 6JM 0.8841
520 L22 0.8840
521 VUP 0.8839
522 LOT 0.8839
523 6QF 0.8839
524 RUG 0.8837
525 PLR 0.8837
526 M77 0.8837
527 ZIQ 0.8835
528 D1G 0.8834
529 FSE 0.8834
530 MPP 0.8834
531 EES 0.8832
532 3D1 0.8832
533 6ZW 0.8828
534 EWG 0.8828
535 DE7 0.8828
536 2L2 0.8826
537 4BX 0.8826
538 M02 0.8826
539 S7G 0.8824
540 6Q3 0.8824
541 1QV 0.8824
542 TCC 0.8824
543 BDI 0.8823
544 IMH 0.8822
545 BVS 0.8822
546 Q9T 0.8821
547 EXR 0.8821
548 D9Z 0.8820
549 0NX 0.8820
550 W29 0.8819
551 NXB 0.8818
552 AJG 0.8818
553 4V2 0.8818
554 Q92 0.8818
555 QMS 0.8817
556 BB4 0.8816
557 IQW 0.8815
558 WCU 0.8815
559 3G1 0.8814
560 8MP 0.8814
561 KMP 0.8814
562 5AV 0.8814
563 AQ1 0.8813
564 JGB 0.8813
565 338 0.8811
566 BGP 0.8811
567 AX5 0.8811
568 NOS 0.8810
569 CUE 0.8810
570 1KN 0.8810
571 5E1 0.8810
572 EDZ 0.8809
573 53X 0.8809
574 ZMG 0.8807
575 ZTW 0.8807
576 FWD 0.8806
577 5JT 0.8805
578 5ZM 0.8804
579 4FE 0.8803
580 TIA 0.8801
581 5TY 0.8800
582 GNG 0.8800
583 1DA 0.8798
584 0RY 0.8798
585 HNT 0.8798
586 AV4 0.8798
587 LFN 0.8797
588 E3X 0.8796
589 PZX 0.8794
590 5OO 0.8794
591 1V0 0.8794
592 GO2 0.8793
593 JNW 0.8792
594 GEN 0.8791
595 M3Q 0.8791
596 BIO 0.8790
597 3DE 0.8790
598 5WM 0.8789
599 BMC 0.8788
600 M6D 0.8788
601 K7H 0.8786
602 OPA 0.8784
603 UL1 0.8781
604 LR8 0.8780
605 37E 0.8779
606 1YL 0.8779
607 68A 0.8779
608 1QP 0.8778
609 CTE 0.8778
610 STV 0.8777
611 BZM 0.8776
612 GO8 0.8776
613 E9S 0.8775
614 SU9 0.8774
615 IXM 0.8774
616 4HB 0.8774
617 OJD 0.8774
618 EQU 0.8772
619 WUB 0.8772
620 M9N 0.8770
621 JWS 0.8770
622 EYA 0.8767
623 GVI 0.8766
624 MUR 0.8766
625 AV6 0.8765
626 7NU 0.8765
627 2V0 0.8764
628 D2G 0.8763
629 GLP 0.8763
630 3VS 0.8762
631 2L1 0.8762
632 D6G 0.8762
633 F9W 0.8762
634 0XR 0.8760
635 U7E 0.8760
636 ET0 0.8759
637 6GP 0.8757
638 NTF 0.8757
639 18E 0.8756
640 5N5 0.8755
641 2J2 0.8755
642 BZC 0.8754
643 2FD 0.8753
644 Z21 0.8752
645 D64 0.8752
646 KW8 0.8752
647 ALE 0.8751
648 M78 0.8751
649 D3G 0.8751
650 WV7 0.8751
651 5XL 0.8750
652 EAJ 0.8749
653 TU0 0.8748
654 DX2 0.8747
655 NE1 0.8746
656 YZ9 0.8743
657 ZYW 0.8741
658 801 0.8740
659 MDR 0.8738
660 CC6 0.8738
661 CBQ 0.8736
662 52F 0.8735
663 NFK 0.8734
664 J3Z 0.8733
665 QUE 0.8731
666 6SD 0.8731
667 SGW 0.8730
668 M3F 0.8730
669 X0U 0.8729
670 5SJ 0.8726
671 6DP 0.8725
672 244 0.8724
673 D87 0.8723
674 XYP XIM 0.8722
675 PTB 0.8721
676 WG8 0.8720
677 WA1 0.8720
678 P7Y 0.8719
679 KCH 0.8718
680 B41 0.8716
681 TBN 0.8716
682 BQ5 0.8715
683 AD3 0.8715
684 0H5 0.8714
685 NDD 0.8714
686 X2L 0.8713
687 5WS 0.8712
688 2M7 0.8712
689 5OR 0.8710
690 CK1 0.8708
691 8NX 0.8708
692 6VW 0.8708
693 SXX 0.8708
694 ETV 0.8703
695 R4E 0.8702
696 FBC 0.8701
697 HRX 0.8699
698 LIG 0.8699
699 3L1 0.8698
700 MZR 0.8698
701 TIZ 0.8695
702 1UT 0.8694
703 Z70 0.8694
704 6L6 0.8694
705 P1J 0.8693
706 X11 0.8692
707 IA2 0.8691
708 BZJ 0.8691
709 120 0.8690
710 STL 0.8690
711 ENO 0.8689
712 CIY 0.8688
713 2HC 0.8688
714 HFT 0.8687
715 2K8 0.8687
716 F63 0.8687
717 CL9 0.8686
718 AXX 0.8686
719 THU 0.8685
720 M5H 0.8684
721 CR1 0.8683
722 PQM 0.8681
723 79W 0.8680
724 DT7 0.8680
725 A64 0.8680
726 SNJ 0.8679
727 PE2 0.8679
728 V1T 0.8679
729 T21 0.8678
730 BMZ 0.8677
731 N0Z 0.8677
732 FMB 0.8676
733 O53 0.8675
734 AH9 0.8672
735 HPR 0.8672
736 YEX 0.8671
737 HBO 0.8671
738 124 0.8670
739 DRG 0.8670
740 1A6 0.8668
741 6WU 0.8667
742 AJ4 0.8665
743 2UV 0.8665
744 IPJ 0.8665
745 6P3 0.8663
746 3AD 0.8662
747 Z15 0.8661
748 8NB 0.8660
749 CX5 0.8657
750 2LW 0.8657
751 9TF 0.8657
752 MD6 0.8656
753 34L 0.8654
754 3N0 0.8654
755 HXY 0.8653
756 5BX 0.8653
757 BPU 0.8653
758 MQS 0.8652
759 Y3J 0.8651
760 9GP 0.8649
761 51Y 0.8647
762 N9J 0.8647
763 VFM 0.8645
764 YOF 0.8644
765 HMD 0.8644
766 KMY 0.8643
767 FT2 0.8643
768 L03 0.8641
769 I59 0.8640
770 9OF 0.8640
771 22T 0.8639
772 SWX 0.8639
773 F6P 0.8639
774 HC4 0.8637
775 IOS 0.8637
776 CDY 0.8636
777 SYE 0.8636
778 TVC 0.8635
779 C82 0.8632
780 XTS 0.8632
781 4I8 0.8631
782 J1K 0.8630
783 WS6 0.8630
784 4RG 0.8630
785 245 0.8630
786 1UR 0.8629
787 A5Q 0.8628
788 BA5 0.8627
789 1VQ 0.8626
790 492 0.8626
791 CFK 0.8623
792 5TU 0.8622
793 FC3 0.8621
794 CR4 0.8620
795 7R4 0.8620
796 FMC 0.8618
797 3TC 0.8616
798 1A7 0.8616
799 4BL 0.8615
800 UKV 0.8614
801 3ZB 0.8613
802 15Q 0.8613
803 Z57 0.8612
804 MKN 0.8610
805 8XL 0.8610
806 5UD 0.8602
807 GVY 0.8600
808 2VQ 0.8600
809 549 0.8600
810 HHS 0.8600
811 3CX 0.8598
812 N2M 0.8596
813 EGR 0.8596
814 XG1 0.8594
815 4BY 0.8591
816 5E2 0.8590
817 2UZ 0.8589
818 P81 0.8589
819 HWB 0.8588
820 BBP 0.8587
821 QS4 0.8587
822 HSX 0.8585
823 61M 0.8583
824 3Q0 0.8583
825 JXQ 0.8581
826 JY4 0.8580
827 A7Q 0.8580
828 LJ2 0.8580
829 IEE 0.8575
830 TZP 0.8574
831 PPY 0.8570
832 DS8 0.8568
833 GNY 0.8556
834 A5P 0.8555
835 HPP 0.8555
836 DMB 0.8554
837 YO5 0.8554
838 NNR 0.8548
839 GB5 0.8545
840 F1X 0.8543
841 SQ4 0.8537
842 GI2 0.8537
843 1EL 0.8534
844 B61 0.8529
845 VC3 0.8526
846 B1J 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U44; Ligand: 3D9; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 4u44.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1XJD STU 31.0241
2 6OVA N9G 32.8904
3 3EKK GS2 33.5505
4 2XMY CDK 33.8926
5 4EWH T77 36.7273
6 4EWH T77 36.7273
7 5JGA 6KC 37.3494
Pocket No.: 2; Query (leader) PDB : 4U44; Ligand: 3D9; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 4u44.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4IDT T28 29.2169
2 4IDT T28 29.2169
3 1XJD STU 31.0241
4 4BCN T9N 33.6667
5 2XMY CDK 33.8926
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