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Receptor
PDB id Resolution Class Description Source Keywords
3KB7 2.5 Å EC: 2.7.11.21 CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A PYRAZOLOQUINAZOLINE INHIBITOR HOMO SAPIENS PROTEIN KINASE ATP-BINDING CELL CYCLE CELL DIVISION KINAMITOSIS NUCLEOTIDE-BINDING NUCLEUS PHOSPHOPROTEIN POLYMSERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: IDENTIFICATION OF 4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUI DERIVATIVES AS A NEW CLASS OF ORALLY AND SELECTIVE POLO-LIKE KINASE 1 INHIBITORS J.MED.CHEM. V. 53 3532 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
071 A:1;
Valid;
none;
ic50 = 0.007 uM
448.521 C23 H28 N8 O2 Cn1c-...
TLA A:400;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
ZN A:346;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FC2 2.45 Å EC: 2.7.11.21 PLK1 IN COMPLEX WITH BI6727 HOMO SAPIENS PROTEIN KINASE ATP-BINDING CELL CYCLE CELL DIVISION KINAMITOSIS NUCLEOTIDE-BINDING NUCLEUS PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: BI 6727, A POLO-LIKE KINASE INHIBITOR WITH IMPROVED PHARMACOKINETIC PROFILE AND BROAD ANTITUMOR ACTIVIT CLIN.CANCER RES. V. 15 3094 2009
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2RKU ic50 = 8 nM R78 C28 H39 N7 O3 CC[C@@H]1C....
2 4J53 ic50 = 2 nM 1J4 C27 H34 F3 N7 O3 CN1CCC(CC1....
3 2YAC ic50 = 0.003 uM 937 C24 H27 F3 N8 O3 CN1CCN(CC1....
4 4J52 ic50 = 3 nM 1J3 C28 H37 F N8 O3 CN1CCN(CC1....
5 3FC2 ic50 = 0.87 nM IBI C34 H50 N8 O3 CC[C@@H]1C....
6 4A4L ic50 = 0.015 uM 939 C22 H24 F3 N7 O2 Cn1cc(cc1c....
7 2OU7 ic50 = 140 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 3KB7 ic50 = 0.007 uM 071 C23 H28 N8 O2 Cn1c-2c(c(....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2RKU ic50 = 8 nM R78 C28 H39 N7 O3 CC[C@@H]1C....
2 4J53 ic50 = 2 nM 1J4 C27 H34 F3 N7 O3 CN1CCC(CC1....
3 2YAC ic50 = 0.003 uM 937 C24 H27 F3 N8 O3 CN1CCN(CC1....
4 4J52 ic50 = 3 nM 1J3 C28 H37 F N8 O3 CN1CCN(CC1....
5 3FC2 ic50 = 0.87 nM IBI C34 H50 N8 O3 CC[C@@H]1C....
6 4A4L ic50 = 0.015 uM 939 C22 H24 F3 N7 O2 Cn1cc(cc1c....
7 2OU7 ic50 = 140 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 3KB7 ic50 = 0.007 uM 071 C23 H28 N8 O2 Cn1c-2c(c(....
9 3THB ic50 = 2 nM 3TA C23 H25 Cl N6 S Cc1c(cc(cn....
10 2OWB ic50 = 0.34 uM 626 C23 H24 N6 O2 S CN1CCN(CC1....
11 5TA6 ic50 = 1.5 nM 79D C30 H37 N9 O2 CC[C@@H]1c....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4I5M ic50 = 0.0088 uM R78 C28 H39 N7 O3 CC[C@@H]1C....
2 4I6H ic50 = 0.005 uM 1C8 C20 H23 N7 O S CC[C@@H]1C....
3 4I5P ic50 = 0.377 uM 1D1 C18 H23 N5 O CC[C@@H]1C....
4 4I6B ic50 = 1.45 uM 11G C14 H20 N4 O CC[C@@H]1C....
5 2RKU ic50 = 8 nM R78 C28 H39 N7 O3 CC[C@@H]1C....
6 4J53 ic50 = 2 nM 1J4 C27 H34 F3 N7 O3 CN1CCC(CC1....
7 2YAC ic50 = 0.003 uM 937 C24 H27 F3 N8 O3 CN1CCN(CC1....
8 4J52 ic50 = 3 nM 1J3 C28 H37 F N8 O3 CN1CCN(CC1....
9 3FC2 ic50 = 0.87 nM IBI C34 H50 N8 O3 CC[C@@H]1C....
10 4A4L ic50 = 0.015 uM 939 C22 H24 F3 N7 O2 Cn1cc(cc1c....
11 2OU7 ic50 = 140 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 3KB7 ic50 = 0.007 uM 071 C23 H28 N8 O2 Cn1c-2c(c(....
13 3THB ic50 = 2 nM 3TA C23 H25 Cl N6 S Cc1c(cc(cn....
14 2OWB ic50 = 0.34 uM 626 C23 H24 N6 O2 S CN1CCN(CC1....
15 5TA6 ic50 = 1.5 nM 79D C30 H37 N9 O2 CC[C@@H]1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 071; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 071 1 1
2 937 0.651786 0.839506
3 C5N 0.610169 0.945205
4 MH4 0.508333 0.861111
5 SVE 0.432624 0.8375
6 939 0.413223 0.853333
7 P48 0.411765 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FC2; Ligand: IBI; Similar sites found with APoc: 527
This union binding pocket(no: 1) in the query (biounit: 3fc2.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3NV3 GAL NAG MAN None
2 1LNX URI None
3 6E2B PT7 None
4 2VQD AP2 1.19403
5 1UYY BGC BGC 1.19403
6 3VPC ADP 1.41844
7 1IYB 5GP 1.49254
8 1SDW IYT 1.59236
9 4R78 AMP 1.61812
10 6F5W KG1 1.62602
11 3W0O HY0 1.79104
12 3W0O ADP 1.79104
13 5A96 GTP 1.79104
14 1TV5 N8E 1.79104
15 1RDS GPC 1.90476
16 3DGY 2GP 2.06186
17 4CYI ATP 2.08955
18 1JS8 MAN MAN BMA 2.08955
19 4AVB CMP 2.08955
20 2Q7D ANP 2.08955
21 5EXK 5AD 2.1148
22 4CS9 AMP 2.1164
23 1TQP ATP 2.12766
24 1IS3 LAT 2.22222
25 1AUX AGS 2.2508
26 1I7L ATP 2.26537
27 3UG4 AHR 2.38806
28 5YJS SAL 2.38806
29 3M3E GAL A2G NPO 2.48447
30 1SW1 PBE 2.54545
31 5ZCT ANP 2.61438
32 1XX6 ADP 2.6178
33 2XOC ADP 2.68199
34 2CFM AMP 2.68657
35 2QK4 ATP 2.68657
36 4U98 ACP 2.68657
37 5TDF ADP 2.68657
38 3K5I ADP 2.68657
39 5O0J 8BR 2.68657
40 2YVK MRU 2.68657
41 6A5K SAM 2.68657
42 5ENZ UDP 2.68657
43 4LUT DCS 2.68657
44 1YFS ALA 2.68657
45 5OES ADP 2.69151
46 5VYQ FON 2.7451
47 4LH7 1X8 2.78638
48 2RDE C2E 2.78884
49 1O9W NAG 2.82486
50 3A76 SPD 2.84091
51 4ZS4 ATP 2.9316
52 4LI4 AMP 2.94118
53 3T4L ZEA 2.96296
54 5DZT AMP 2.98507
55 1NSZ GLC 2.98507
56 4UWM FMN 2.98507
57 1NIU DCS 2.98507
58 3FSY SCA 3.01205
59 2YRX AMP 3.10421
60 3VV1 GAL FUC 3.125
61 5HV7 RBL 3.21101
62 3PDT ADP 3.27273
63 3ZJX BOG 3.28358
64 3WVR AMP 3.28358
65 1EHI ADP 3.28358
66 1S68 AMP 3.28358
67 3ORQ ADP 3.28358
68 5MRH Q9Z 3.28358
69 3I0O ADP 3.58209
70 4LCN GNG 3.58209
71 1F1V DHY 3.58209
72 4WEI GLC GAL 3.61011
73 1TZD ADP 3.63636
74 1CKM GTP 3.63636
75 1A78 TDG 3.73134
76 3LLZ GAL NGA 3.7594
77 1M3U KPL 3.78788
78 1QB7 ADE 3.81356
79 2FUE M1P 3.81679
80 1KPH 10A 3.83275
81 3VOT ADP 3.8806
82 4AZW ATP 3.8806
83 6EZ6 C5Z 3.8806
84 5AE9 OKO 3.8806
85 2VD9 IN5 3.8806
86 1OBD ATP 3.8806
87 5KJW 53C 3.8806
88 2VD9 EPC 3.8806
89 3N75 G4P 3.8806
90 3BEO UDP 3.8806
91 6FA4 D1W 4.04624
92 6EK3 OUL 4.0724
93 1GSA ADP 4.11392
94 2YNE NHW 4.16667
95 2YNE YNE 4.16667
96 1RGE 2GP 4.16667
97 5YK1 ANP 4.1791
98 3TII ANP 4.1791
99 1NY5 ADP 4.1791
100 5C8W PCG 4.1958
101 2GQR ADP 4.21941
102 1IA9 ANP 4.28571
103 3S6X SIA GAL BGC 4.30769
104 1P6O HPY 4.34783
105 1DTL BEP 4.34783
106 3TY5 ATP 4.35835
107 3SAO DBH 4.375
108 3SAO NKN 4.375
109 1M0W ANP 4.47761
110 5COU ATP 4.47761
111 1SLT NDG GAL 4.47761
112 2VPQ ANP 4.47761
113 6C1S EFV 4.47761
114 1T36 ADP 4.47761
115 1UA4 AMP 4.47761
116 3SCH TB6 4.54545
117 2GQS ADP 4.64135
118 1JBU BEN 4.7619
119 4CSD MFU 4.77612
120 1E4E ADP 4.77612
121 4XYM A12 4.78261
122 4XZ3 ACP 4.78261
123 6CGD GNP 4.91803
124 6CGD AKN 4.91803
125 1CBK ROI 5
126 4HBM 0Y7 5
127 3WG3 A2G GAL NAG FUC 5.05618
128 5EQY 5RA 5.07463
129 5MW8 ATP 5.07463
130 3T95 PAV 5.07463
131 5L2R MLA 5.07463
132 4FE2 ADP 5.09804
133 3WUD GLC GAL 5.14706
134 3KYF 5GP 5GP 5.19481
135 5IH1 GDP 5.29801
136 5IH1 6BQ 5.29801
137 3AKK ADP 5.37313
138 2V58 LZJ 5.37313
139 3B6R CRN 5.37313
140 1VRP IOM 5.37313
141 6EOM ALA LYS 5.37313
142 2YMZ LAT 5.38462
143 3PAK MAN 5.40541
144 2IO8 ADP 5.67164
145 1GPM AMP 5.67164
146 4UWH JXM 5.67164
147 1ONI BEZ 5.67164
148 2PYW ADP 5.67164
149 3C8F MT2 5.71429
150 2BVE PH5 5.88235
151 4DFU QUE 5.90062
152 5C4L 4XR 5.919
153 5C4L SIS 5.919
154 2UV4 AMP 5.92105
155 4OCV ANP 5.97015
156 1O68 KIV 5.97015
157 4OCJ NDG 5.97015
158 1BKC INN 5.97015
159 4XMF HSM 5.97826
160 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 6.08696
161 3AB4 THR 6.17978
162 2IF8 ADP 6.26866
163 5DXT 5H5 6.26866
164 1ZX5 LFR 6.33333
165 4LRJ ANP 6.50888
166 4GYI ADP 6.56716
167 5I35 ANP 6.56716
168 1OKE BOG 6.56716
169 1ZTH ADP 6.58915
170 1ZP9 ATP 6.58915
171 2G30 ALA ALA PHE 6.58915
172 4CC6 L5Y 6.60377
173 3EJW PAV 6.66667
174 1NWW HPN 6.71141
175 5VZ0 ADP 6.86567
176 3V4S ATP 6.86567
177 4OFG PCG 6.94444
178 2CBO TH2 6.95652
179 3RE4 TO1 6.97674
180 5OCQ CIT 7.01754
181 3WV6 GAL BGC 7.09459
182 3VPB ADP 7.14286
183 5N53 8NB 7.17949
184 6GNO XDI 7.40741
185 3UDZ ADP 7.46269
186 2YY8 MTA 7.46269
187 6FL8 ADP 7.46269
188 6FL8 TIY 7.46269
189 5VLQ ANP 7.46269
190 4XJ6 GH3 7.61671
191 4WW7 AMP 7.66284
192 5XLS URA 7.76119
193 4K6B GLU 8.07453
194 3PN1 IVH 8.1761
195 3BP1 GUN 8.27586
196 2XZ9 PYR 8.64198
197 2PUL ACP 8.95522
198 6E8I PTR 8.95522
199 5EZU MYR 8.98876
200 4WVW SLT 9.02778
201 1W2D ADP 9.43396
202 2BKK ADP 9.4697
203 4OUC 5ID 9.55224
204 6G34 5ID 9.55224
205 1PK8 ATP 10.1896
206 3TDV GDP 10.4575
207 5KEW 6SB 10.6383
208 2AQX ATP 10.7266
209 5C1P ADP 10.7463
210 1DZK PRZ 10.828
211 1VKF CIT 11.1702
212 2D6M LBT 11.3208
213 5K2M ADP 11.3208
214 3Q60 ATP 11.3433
215 3HAV ATP 11.3712
216 3X01 AMP 11.4504
217 4RT1 C2E 11.6071
218 3ETH ATP 11.6418
219 1U6R IOM 11.6418
220 3H9R TAK 12.4242
221 3KIV ACA 12.6582
222 5CKW ANP 12.8358
223 4O4F ATP 12.9032
224 4O4F IHP 12.9032
225 4IX4 ADP 13.1343
226 3VPD ANP 13.1673
227 6GIN IR2 13.6213
228 3CF6 SP1 13.7725
229 2DT9 THR 13.7725
230 6GWR FEW 14.2857
231 4XJ7 ADE 14.3284
232 4XH0 ADP 15.2239
233 2W5P CL8 15.4362
234 5H9Q TD2 15.4839
235 4O1P ANP 15.5224
236 2QLU ADE 16.5605
237 6F5U CQN 16.6667
238 6FHQ DE5 17.2414
239 4Q5H ANP 17.3134
240 4AUA 4AU 17.9153
241 3LQV ADE 17.9487
242 1I82 BGC BGC 17.9894
243 4JR7 GNP 18.209
244 5N49 8LW 18.5185
245 6FYL 3NG 18.806
246 4IJP 1EH 18.806
247 5HCY 60D 20
248 4I94 ANP 20.6667
249 3C1X CKK 21.194
250 2PZI AXX 21.791
251 3VHE 42Q 21.791
252 4Y0X ADP 21.8667
253 5EOB 5QQ 21.9436
254 4Y93 746 22.3881
255 1U59 STU 22.6481
256 5U6C 7YS 22.8571
257 4F9C 0SX 22.9851
258 4G17 0VN 23.0303
259 4PZ6 GMP 23.8095
260 3PP0 03Q 23.8806
261 5X8I SQZ 24.1791
262 6G33 5ID 24.1791
263 5GZ9 ANP 24.2623
264 4FL3 ANP 24.4776
265 5M06 ADP 24.6377
266 4OAV ACP 24.7761
267 5C03 AGS 25.0746
268 3KMW ATP 25.0923
269 4WOV 3SM 26.4984
270 6GZD LCI 26.8657
271 5OMY 9YE 27.11
272 3TTI KBI 27.4627
273 4WHZ 3NL 27.4627
274 3PTG 932 27.4627
275 5Y86 HRM 27.4627
276 5ZTN CUR 28.3582
277 5MY8 RXZ 28.3582
278 4BTK DTQ 28.3582
279 5AWM ANP 28.3582
280 2PVN P63 28.4091
281 3ORK AGS 28.6174
282 6A1G 9OL 28.6567
283 4P5Z Q7M 28.6567
284 4OH4 ANP 28.8288
285 5LPZ ADP 28.9157
286 6AC9 ANP 28.9552
287 1Q8Y ADP 28.9552
288 1Q8Y ADE 28.9552
289 5KO1 6UY 28.9753
290 5W4W 9WG 29.2537
291 4KBA 1QM 29.2537
292 4M69 ANP 29.393
293 3E8N ATP 29.6188
294 3E8N VRA 29.6188
295 5OKT 9XK 29.8507
296 5QIN J2V 30.0633
297 4EUU BX7 30.094
298 3GC0 AMP 30.1493
299 4NFN 2KC 30.4207
300 3FHR P4O 30.4478
301 1VJY 460 30.6931
302 3GNI ATP 30.7463
303 2CSN CKI 30.7463
304 2OO8 RAJ 30.9148
305 5DMZ ADP 31.3433
306 3PE2 E1B 31.454
307 5WO4 B7V 31.457
308 2WU6 DKI 31.6418
309 4FF8 14S 31.6418
310 5HVJ ANP 31.746
311 5JGA 6KC 31.746
312 3LXK MI1 31.8043
313 3E7O 35F 31.9403
314 4CLI 5P8 32.2388
315 5LPB ADP 32.4324
316 2XVD AS6 32.4503
317 3SXS PP2 32.4627
318 3SLS ANP 32.5658
319 2BPM 529 32.6861
320 6GU6 1QK 32.7815
321 5HQ0 LZ9 32.7815
322 5MJA 7O3 32.7869
323 1OPK P16 32.8358
324 2Y6O 1N1 32.9897
325 6BFN DL1 33.0409
326 4EWH T77 33.0909
327 1BYG STU 33.0935
328 4AT3 LTI 33.1104
329 6C7Y ADP 33.2168
330 5UIU 8CG 33.4365
331 5FBN 5WF 33.5793
332 4BCN T9N 33.6667
333 5NKB 8ZT 33.7313
334 4E93 GUI 33.7313
335 2RIO ADP 33.7313
336 2XMY CDK 33.8926
337 4XV1 904 33.9041
338 5LMK 6ZK 34.0067
339 4CRL C1I 34.0299
340 6BXI ANP 34.0299
341 4IDT T28 34.0299
342 1JPA ANP 34.2949
343 3SRV S19 34.296
344 3CY2 MB9 34.3949
345 4RFM 3P6 34.5865
346 5DBX ANP 34.7561
347 4F4P 0SB 34.7985
348 5T8O 76Z 34.9254
349 6ES0 BW8 35.0158
350 1V0O INR 35.0694
351 3F7Z 34O 35.2239
352 4NM5 ADP 35.2239
353 4ASE AV9 35.2239
354 3VRY B43 35.2239
355 6GQM F8H 35.2239
356 4U0I 0LI 35.2381
357 4N70 2HX 35.3659
358 5JFS 6K0 35.3896
359 5HES 032 35.5049
360 1O9U ADZ 35.5224
361 4CQE CQE 35.6115
362 6FYV 3NG 35.8209
363 5WNL STU 35.8209
364 4YZC STU 35.8209
365 4UXL 5P8 36.0248
366 4AG8 AXI 36.076
367 4BCM T7Z 36.1194
368 4CFU 2WC 36.1194
369 3TXO 07U 36.1194
370 2R5T ANP 36.1194
371 4BCQ TJF 36.1194
372 3EKK GS2 36.1564
373 3BZ3 YAM 36.2319
374 3BU5 ATP 36.2745
375 1IR3 ANP 36.2745
376 6GUE FB8 36.4179
377 1Y57 MPZ 36.4179
378 3PVW QRX 36.4179
379 2H8H H8H 36.4179
380 5UKL SIX 36.4179
381 6F3G CJN 36.6102
382 5CEO 50D 36.6667
383 3KRL KRL 36.7164
384 3LXN MI1 36.7164
385 4Y85 499 36.7164
386 4PNI KQQ 37.0149
387 1XJD STU 37.0149
388 4UAL 3FV 37.0149
389 4L9I 8PR 37.0149
390 4NST AF3 37.3134
391 4NST ADP 37.3134
392 4WNK 453 37.3134
393 3NW7 LGV 37.4593
394 5YF9 NIO 37.4631
395 2ZV2 609 37.5839
396 3C0G 3AM 37.6119
397 5EFQ ADP 37.6119
398 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 37.6119
399 2JDR L20 37.6119
400 5VCV 1N1 37.6206
401 4YMJ 4EJ 37.8289
402 6C0T EE4 37.9104
403 3UIM ANP 37.9104
404 2X2M X2M 37.9104
405 2WQN ADP 37.9104
406 3ALN ANP 37.9205
407 4X7Q 3YR 38.141
408 5JKG 6LF 38.209
409 4OTH DRN 38.209
410 3PLS ANP 38.255
411 4GJ3 0XP 38.4106
412 3M2W L8I 38.4615
413 3G5D 1N1 38.4615
414 1K3A ACP 38.4615
415 4DC2 ADE 38.5075
416 5LI1 ANP 38.5075
417 5LI9 ACP 38.5075
418 3DAK ANP 38.6207
419 4BHN BH9 38.6228
420 2V7O DRN 38.806
421 2OFV 242 38.9892
422 5USZ SKE 39.1003
423 4K33 ACP 39.1045
424 3MVH WFE 39.1045
425 1PHK ATP 39.2617
426 5TO8 7FM 39.3617
427 4UX9 ANP 39.403
428 4IZY 1J2 39.403
429 1OUK 084 39.403
430 3DLS ADP 39.403
431 3IGO ANP 39.403
432 2PVF ACP 39.403
433 4LOO SB4 39.403
434 5VC5 96M 39.4464
435 4CSV STI 39.6364
436 5IH9 6BF 39.7015
437 3GC8 B45 39.7015
438 3HMO STU 39.7015
439 5UR1 YY9 39.7015
440 3GQI ACP 39.7015
441 5EKO N17 39.7015
442 4E1Z 0MX 39.8625
443 6CMJ F6J 39.8754
444 2JLD AG1 40
445 3ZRM ZRM 40
446 2F57 23D 40
447 1CM8 ANP 40
448 2WEL K88 40.0612
449 4BFM ANP 40.1198
450 1U5R ATP 40.2985
451 2B9F ADP 40.2985
452 4FG8 ATP 40.3175
453 5DH3 5BS 40.3175
454 2XK9 XK9 40.3727
455 4YZN 4K5 40.4181
456 2VZ6 FEF 40.5751
457 4TWP AXI 40.5904
458 2B9H ADP 40.597
459 3V8S 0HD 40.597
460 2B9I ADP 40.597
461 2B9J ADP 40.597
462 4U44 3D9 40.6627
463 4AU8 Z3R 40.8784
464 5LVP ATP 40.8955
465 2YAB AMP 40.8955
466 4H3Q ANP 40.8955
467 2F2U M77 40.8955
468 5UPK ANP 40.8955
469 3HZT J60 41.194
470 3RI1 3RH 41.194
471 5BVE 4VG 41.194
472 3RWP ABQ 41.194
473 3GGF GVD 41.196
474 5DRB 5FJ 41.2371
475 2Z7R STU 41.433
476 3O0G 3O0 41.4384
477 1UNH IXM 41.4384
478 4H3P ANP 41.4925
479 4WB6 ATP 41.4925
480 3FHI ANP 41.4925
481 2QCS ANP 41.4925
482 4WB7 ATP 41.4925
483 5N87 N66 41.5335
484 4QMN DB8 41.6129
485 4USF 6UI 41.7763
486 3IDB ANP 41.791
487 1RE8 BD2 41.791
488 2GU8 796 41.791
489 4Y8D 49J 42.0896
490 4C2V YJA 42.1053
491 5XVG 8FX 42.3208
492 4G31 0WH 42.4749
493 2HK5 1BM 42.5926
494 4QTB 38Z 42.6866
495 1ZY5 ANP 42.9043
496 4C2W ANP 43.0108
497 2J7T 274 43.0464
498 5H2U 1N1 43.0712
499 5DEY 59T 43.0976
500 6CZ3 FLJ 43.1818
501 3TKI S25 43.3437
502 5JZJ AN2 43.4343
503 5EYK 5U5 43.4783
504 2HY0 306 43.4783
505 4KS7 X4Z 43.4931
506 2VN9 GVD 43.5216
507 4ONA UW1 43.5821
508 6E2O S0L 43.7288
509 4L3L 5FI 43.75
510 5AX9 4KT 43.8312
511 4NW6 2NS 43.9628
512 3KN5 ANP 44.3077
513 5Y80 IRE 44.7284
514 6CQF F97 45.1178
515 4WNP 3RJ 45.2962
516 2YAK OSV 45.9649
517 2WEI VGG 45.993
518 3AQV TAK 46.0145
519 5A6N U7E 46.6431
520 2A19 ANP 46.831
521 5L8L ADP 47.0175
522 5G1X ADP 47.0175
523 4A4X JUP 47.3118
524 5LXM ADP 47.3498
525 5ODT ADP 47.3498
526 5EH0 5NW 49.6124
527 5EW9 5VC 49.8155
Pocket No.: 2; Query (leader) PDB : 3FC2; Ligand: IBI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3fc2.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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