Receptor
PDB id Resolution Class Description Source Keywords
5fp9 2 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 3- AMINOPYRIDINE-4-CARBOXYLIC ACID HOMO SAPIENS OXIDOREDUCTASE LYSINE SPECIFIC HISTONE DEMETHYLASE JMJD2DJUMONJI
Ref.: CELL PENETRANT INHIBITORS OF THE KDM4 AND KDM5 FAMI HISTONE LYSINE DEMETHYLASES. 1. 3-AMINO-4-PYRIDINE CARBOXYLATE DERIVATIVES. J.MED.CHEM. V. 59 1357 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4SV A:1342;
Valid;
none;
ic50 = 1.585 uM
138.124 C6 H6 N2 O2 c1cnc...
SO4 A:1346;
A:1344;
A:1345;
A:1349;
A:1347;
A:1343;
A:1348;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:1341;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CO A:360;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
ZN A:350;
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
5FP4 2 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 3-(4- PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID HOMO SAPIENS TRANSCRIPTION INHIBITOR LYSINE SPECIFIC HISTONE DEMETHYLASJMJD2D KDM4D JUMONJI
Ref.: CELL PENETRANT INHIBITORS OF THE KDM4 AND KDM5 FAMI HISTONE LYSINE DEMETHYLASES. 1. 3-AMINO-4-PYRIDINE CARBOXYLATE DERIVATIVES. J.MED.CHEM. V. 59 1357 2016
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
2 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
3 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
4 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
5 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
6 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
7 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
8 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
9 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
70% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6H4T Ki = 0.004 uM FOW C25 H26 N6 O c1ccc2c(c1....
2 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
3 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
4 6H4Q ic50 = 2.06 uM FO2 C16 H18 N6 O CN1CCC(CC1....
5 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
6 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
7 6H4S Ki = 0.002 uM FQE C27 H33 N7 O CN(C)CCc1c....
8 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
9 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
10 6H4P Ki = 0.003 uM FQ5 C23 H23 Cl N6 O c1cc(cc(c1....
11 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
12 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
13 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
14 6H4V ic50 = 0.613 uM FQN C20 H24 N6 O c1cnc(c2c1....
15 6H4O ic50 = 0.128 uM FQH C24 H23 F3 N6 O c1cc(cc(c1....
16 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
17 6H4U - FO2 C16 H18 N6 O CN1CCC(CC1....
18 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
19 6H4R Ki = 0.004 nM FQB C27 H33 N7 O CN(C)CCc1c....
20 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
21 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
22 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
23 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
24 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
25 4URA ic50 = 0.00000316 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
26 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
27 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
28 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
29 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
30 6H4Y ic50 = 0.077 uM FO8 C29 H35 N7 O2 c1cc(ccc1C....
31 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
32 6CG1 - QC1 C13 H11 F N2 O2 c1cc(ccc1C....
33 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
34 6H4X ic50 = 0.131 uM FNQ C28 H27 N7 O c1cc(cnc1)....
35 6CG2 - QC2 C15 H11 N3 O3 c1cc(cc(c1....
36 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
37 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
38 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
39 5KR7 ic50 = 2.88 uM 6X9 C11 H12 N4 O CCC1=C(Nc2....
40 4XDO ic50 = 84 uM OGA C4 H5 N O5 C(C(=O)O)N....
41 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
42 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
43 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
44 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
45 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
46 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
47 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
48 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
49 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
50% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 6H4T Ki = 0.004 uM FOW C25 H26 N6 O c1ccc2c(c1....
2 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
3 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
4 6H4Q ic50 = 2.06 uM FO2 C16 H18 N6 O CN1CCC(CC1....
5 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
6 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
7 6H4S Ki = 0.002 uM FQE C27 H33 N7 O CN(C)CCc1c....
8 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
9 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
10 6H4P Ki = 0.003 uM FQ5 C23 H23 Cl N6 O c1cc(cc(c1....
11 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
12 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
13 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
14 6H4V ic50 = 0.613 uM FQN C20 H24 N6 O c1cnc(c2c1....
15 6H4O ic50 = 0.128 uM FQH C24 H23 F3 N6 O c1cc(cc(c1....
16 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
17 6H4U - FO2 C16 H18 N6 O CN1CCC(CC1....
18 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
19 6H4R Ki = 0.004 nM FQB C27 H33 N7 O CN(C)CCc1c....
20 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
21 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
22 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
23 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
24 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
25 4URA ic50 = 0.00000316 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
26 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
27 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
28 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
29 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
30 6H4Y ic50 = 0.077 uM FO8 C29 H35 N7 O2 c1cc(ccc1C....
31 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
32 6CG1 - QC1 C13 H11 F N2 O2 c1cc(ccc1C....
33 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
34 6H4X ic50 = 0.131 uM FNQ C28 H27 N7 O c1cc(cnc1)....
35 6CG2 - QC2 C15 H11 N3 O3 c1cc(cc(c1....
36 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
37 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
38 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
39 3OPT - AKG C5 H6 O5 C(CC(=O)O)....
40 5KR7 ic50 = 2.88 uM 6X9 C11 H12 N4 O CCC1=C(Nc2....
41 4XDO ic50 = 84 uM OGA C4 H5 N O5 C(C(=O)O)N....
42 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
43 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
44 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
45 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
46 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
47 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
48 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
49 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
50 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4SV; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 4SV 1 1
2 L89 0.424242 0.677419
3 BE2 0.416667 0.793103
4 12T 0.4 0.71875
Similar Ligands (3D)
Ligand no: 1; Ligand: 4SV; Similar ligands found: 1269
No: Ligand Similarity coefficient
1 SAL 1.0000
2 3U4 1.0000
3 JBE 1.0000
4 BGC 1.0000
5 ES6 1.0000
6 JKE 0.9999
7 1WD 0.9991
8 7WV 0.9964
9 IP0 0.9877
10 SVN 0.9861
11 60P 0.9849
12 3SK 0.9799
13 5CU 0.9793
14 BEZ 0.9783
15 5AC 0.9774
16 9EW 0.9773
17 6PC 0.9772
18 BEN 0.9769
19 BAM 0.9761
20 NCA 0.9759
21 NIO 0.9751
22 GAG 0.9749
23 YCP 0.9749
24 5RG 0.9747
25 3F0 0.9746
26 5NU 0.9746
27 HLR 0.9746
28 F05 0.9740
29 GBD 0.9736
30 DOB 0.9735
31 FA0 0.9721
32 NK 0.9718
33 6M9 0.9716
34 GRE 0.9708
35 JBK 0.9702
36 4M0 0.9702
37 6F0 0.9698
38 0RW 0.9697
39 JZ3 0.9689
40 BHA 0.9689
41 VGL 0.9689
42 QUZ 0.9688
43 VNJ 0.9687
44 R8A 0.9686
45 5M0 0.9682
46 NBZ 0.9682
47 OXQ 0.9681
48 RSF 0.9679
49 NTN 0.9674
50 PZA 0.9670
51 3HA 0.9668
52 2ZV 0.9668
53 FBV 0.9667
54 GTQ 0.9667
55 6M1 0.9667
56 FE DB1 0.9665
57 DBH 0.9665
58 NPY 0.9664
59 6M4 0.9664
60 9TZ 0.9658
61 6CS 0.9657
62 ADE 0.9655
63 8GC 0.9654
64 UNU 0.9652
65 3M0 0.9647
66 54G 0.9647
67 HPA 0.9645
68 25W 0.9643
69 5HN 0.9641
70 HY3 0.9640
71 1PT 0.9639
72 BZX 0.9638
73 BE7 0.9636
74 SS1 0.9636
75 GYE 0.9631
76 KYD 0.9630
77 DEN 0.9629
78 GUN 0.9628
79 G6D 0.9618
80 9DG 0.9616
81 5Q0 0.9615
82 6AI 0.9615
83 PBC 0.9615
84 5H1 0.9612
85 IND 0.9610
86 AZA 0.9610
87 M1A 0.9610
88 XYP 0.9606
89 AC0 0.9605
90 HQY 0.9604
91 SHA 0.9603
92 XAN 0.9603
93 2CK 0.9601
94 LXC 0.9595
95 1NP 0.9594
96 7HQ 0.9593
97 141 0.9592
98 ES1 0.9591
99 FYU 0.9591
100 67N 0.9590
101 SS2 0.9590
102 BTE 0.9588
103 14O 0.9586
104 A2F 0.9583
105 6MP 0.9583
106 IGA 0.9581
107 4YS 0.9581
108 I3A 0.9581
109 F60 0.9576
110 GAB 0.9572
111 3AB 0.9571
112 5MK 0.9571
113 3HB 0.9570
114 2K4 0.9570
115 5MB 0.9570
116 1LM 0.9570
117 10L 0.9569
118 1SQ 0.9568
119 24W 0.9568
120 1LQ 0.9567
121 BZI 0.9566
122 N5J 0.9566
123 5WV 0.9566
124 290 0.9563
125 5IQ 0.9562
126 0R0 0.9560
127 9HX 0.9558
128 DX4 0.9558
129 NPO 0.9558
130 6AP 0.9557
131 BZF 0.9557
132 5SG 0.9556
133 3NT 0.9555
134 JPZ 0.9555
135 9DA 0.9555
136 CFP 0.9552
137 0R1 0.9552
138 M58 0.9551
139 FB1 0.9550
140 GVH 0.9550
141 LZ1 0.9549
142 53C 0.9549
143 AHR 0.9549
144 SWD 0.9547
145 JBH 0.9544
146 JAE 0.9544
147 7HP 0.9544
148 5MI 0.9543
149 4CS 0.9543
150 SX1 0.9542
151 PHB 0.9541
152 BP1 0.9539
153 24B 0.9539
154 IDM 0.9537
155 JZ1 0.9536
156 7N0 0.9536
157 BHO 0.9535
158 0CT 0.9535
159 AZG 0.9534
160 MPI 0.9534
161 OVV 0.9528
162 HMH 0.9528
163 DFB 0.9528
164 GLC 0.9525
165 7WA 0.9524
166 6GU 0.9523
167 HHA 0.9521
168 FP1 0.9520
169 286 0.9519
170 IT2 0.9518
171 HH8 0.9517
172 4JP 0.9517
173 NOJ 0.9506
174 WCE 0.9505
175 EA1 0.9505
176 RSO 0.9501
177 5OB 0.9497
178 OAA 0.9496
179 03V 0.9495
180 4XH 0.9495
181 BNS 0.9495
182 ADZ 0.9493
183 SYG 0.9493
184 QSC 0.9491
185 1LN 0.9491
186 T9G 0.9489
187 ES4 0.9488
188 COU 0.9487
189 O72 0.9484
190 EQT 0.9480
191 PM6 0.9478
192 282 0.9478
193 2DR 0.9478
194 KKN 0.9477
195 ISN 0.9472
196 G5V 0.9472
197 ES9 0.9471
198 L3Q 0.9470
199 IPB 0.9470
200 YH7 0.9468
201 1XN 0.9463
202 1XM 0.9462
203 PAB 0.9461
204 0TR 0.9460
205 AZF 0.9454
206 ES7 0.9453
207 P72 0.9453
208 HH5 0.9452
209 F5B 0.9450
210 BRT 0.9450
211 7B4 0.9449
212 DHB 0.9449
213 RM1 0.9449
214 IFM 0.9447
215 TIU 0.9446
216 3BZ 0.9444
217 11S 0.9442
218 1Y6 0.9442
219 HBD 0.9440
220 5RN 0.9439
221 2AQ 0.9438
222 7NI 0.9437
223 23A 0.9436
224 826 0.9435
225 7W4 0.9435
226 8EZ 0.9434
227 ES5 0.9430
228 IPZ 0.9430
229 4NC 0.9427
230 INO 0.9427
231 XX2 0.9427
232 OXZ 0.9427
233 ABV 0.9426
234 TH0 0.9426
235 261 0.9423
236 4FS 0.9421
237 BOA 0.9421
238 93K 0.9420
239 AX7 0.9420
240 1DW 0.9418
241 2LP 0.9418
242 270 0.9417
243 AMC 0.9416
244 NNO 0.9415
245 Q6T 0.9415
246 Q88 0.9415
247 FOA 0.9415
248 OCH 0.9413
249 MLT 0.9412
250 PE0 0.9409
251 XM0 0.9406
252 TH7 0.9404
253 AZ8 0.9403
254 PBZ 0.9402
255 SW7 0.9400
256 E7Z 0.9399
257 0CU 0.9399
258 GIO 0.9397
259 HMU 0.9396
260 SMV 0.9396
261 DMD 0.9395
262 4MA 0.9394
263 FHB 0.9392
264 JZ9 0.9392
265 URF 0.9392
266 B57 0.9391
267 1P7 0.9389
268 MCT 0.9389
269 32X 0.9388
270 FAN 0.9387
271 ZZT 0.9386
272 TTL 0.9384
273 FDB 0.9383
274 NMJ 0.9381
275 R9S 0.9380
276 2HO 0.9379
277 42C 0.9378
278 H4N 0.9377
279 FK1 0.9377
280 XQ0 0.9377
281 H42 0.9377
282 SJ5 0.9376
283 UGC 0.9376
284 174 0.9376
285 M1E 0.9374
286 LZM 0.9374
287 MYJ 0.9372
288 PRO 0.9372
289 P92 0.9371
290 G3F 0.9370
291 ES0 0.9369
292 3ID 0.9369
293 7CZ 0.9368
294 ABN 0.9368
295 C21 0.9366
296 2MI 0.9364
297 HXX 0.9363
298 HBX 0.9360
299 HBA 0.9360
300 12Q 0.9359
301 42A 0.9358
302 Q24 0.9357
303 AC6 0.9356
304 2CQ 0.9356
305 7VS 0.9355
306 TP5 0.9355
307 4HC 0.9353
308 ISZ 0.9352
309 ADK 0.9352
310 3OC 0.9352
311 Z82 0.9350
312 XYS 0.9349
313 F81 0.9348
314 3Z7 0.9347
315 MWM 0.9347
316 4A3 0.9346
317 SYN 0.9346
318 PYC 0.9346
319 M5K 0.9345
320 1WG 0.9345
321 9MG 0.9345
322 3PF 0.9344
323 150 0.9343
324 BZ3 0.9342
325 PY7 0.9342
326 8NY 0.9340
327 265 0.9340
328 CFI 0.9339
329 4AA 0.9337
330 5QX 0.9337
331 47J 0.9337
332 KJH 0.9337
333 3HM 0.9336
334 3WA 0.9335
335 AKH 0.9333
336 B53 0.9333
337 51F 0.9333
338 7W1 0.9332
339 FBT 0.9330
340 SRT 0.9330
341 XXR 0.9330
342 MEW 0.9328
343 PYF 0.9328
344 4ZE 0.9328
345 C2U 0.9325
346 JBN 0.9323
347 R8V 0.9323
348 HQT 0.9322
349 5B1 0.9320
350 AJ2 0.9319
351 JLZ 0.9319
352 FPK 0.9319
353 BCP 0.9319
354 MS9 0.9318
355 APY 0.9318
356 M6N 0.9317
357 J9W 0.9316
358 HIO 0.9315
359 AQO 0.9315
360 8H8 0.9314
361 PXL 0.9314
362 FUL 0.9314
363 3FH 0.9313
364 CWM 0.9313
365 NBE 0.9312
366 DYA 0.9312
367 PYG 0.9312
368 J1Z 0.9310
369 40E 0.9310
370 4Z4 0.9309
371 3XX 0.9309
372 MBD 0.9309
373 HZQ 0.9307
374 JBQ 0.9306
375 2PC 0.9306
376 RIB 0.9305
377 JZ4 0.9304
378 JIF 0.9303
379 TLA 0.9303
380 MT0 0.9302
381 DHQ 0.9302
382 HLZ 0.9301
383 WBU 0.9300
384 FPI 0.9300
385 BSX 0.9298
386 P9P 0.9298
387 TZC 0.9297
388 4JT 0.9295
389 XBZ 0.9293
390 FOT 0.9293
391 KBB 0.9292
392 UNC 0.9291
393 XQG 0.9291
394 EXO 0.9290
395 O7U 0.9289
396 92K 0.9288
397 39A 0.9288
398 NIZ 0.9287
399 QSB 0.9287
400 RHU 0.9285
401 495 0.9282
402 K5W 0.9280
403 1MC 0.9280
404 ISE 0.9280
405 TDR 0.9279
406 273 0.9277
407 1P3 0.9277
408 A7W 0.9276
409 4XR 0.9276
410 5XC 0.9273
411 4HO 0.9273
412 ASC 0.9272
413 JB5 0.9272
414 M0W 0.9272
415 ARB 0.9272
416 2FY 0.9271
417 M1Q 0.9271
418 RAM 0.9271
419 ICO 0.9270
420 MAK 0.9269
421 PMB 0.9269
422 280 0.9268
423 FQI 0.9267
424 EYK 0.9266
425 2AL 0.9266
426 37T 0.9265
427 DIU 0.9265
428 2YU 0.9265
429 ODO 0.9263
430 2D0 0.9261
431 M2K 0.9260
432 NEQ 0.9260
433 0P6 0.9259
434 5QY 0.9259
435 FB2 0.9258
436 275 0.9258
437 HJP 0.9257
438 PCA 0.9256
439 LSA 0.9255
440 284 0.9252
441 8S0 0.9251
442 DBX 0.9249
443 IJZ 0.9248
444 HT4 0.9247
445 M0Q 0.9245
446 GMN 0.9244
447 BTY 0.9243
448 5WX 0.9243
449 AZ9 0.9242
450 3FA 0.9242
451 PZI 0.9242
452 RCO 0.9240
453 ASP 0.9240
454 CWS 0.9239
455 2AC 0.9238
456 5JC 0.9237
457 NSP 0.9237
458 SWA 0.9236
459 FEH 0.9234
460 UY7 0.9234
461 URA 0.9233
462 URC 0.9233
463 FLM 0.9233
464 A1U 0.9232
465 FBM 0.9231
466 CRS 0.9231
467 DIN 0.9230
468 2MP 0.9230
469 9TW 0.9230
470 8CM 0.9229
471 OXC 0.9229
472 3IT 0.9227
473 M1H 0.9226
474 DBJ 0.9223
475 43M 0.9222
476 B24 0.9222
477 5MH 0.9221
478 CTL 0.9221
479 GCS 0.9221
480 ICP 0.9219
481 82I 0.9219
482 NTM 0.9218
483 INS 0.9218
484 14J 0.9217
485 3CH 0.9216
486 1DJ 0.9215
487 HX3 0.9214
488 5UC 0.9214
489 CYT 0.9214
490 CHB 0.9213
491 34A 0.9213
492 URP 0.9212
493 PYJ 0.9212
494 3ZQ 0.9212
495 KUF 0.9211
496 KOJ 0.9208
497 MRW 0.9208
498 9TY 0.9208
499 JZ7 0.9207
500 P3K 0.9207
501 PYD 0.9206
502 GAL 0.9206
503 45C 0.9205
504 XYD 0.9202
505 LG3 0.9201
506 3MC 0.9201
507 173 0.9200
508 G3E 0.9199
509 2C9 0.9199
510 MXN 0.9199
511 T6C 0.9198
512 LT2 0.9198
513 4VP 0.9195
514 3Z8 0.9195
515 ET2 0.9194
516 MZB 0.9194
517 RXA 0.9193
518 TM7 0.9193
519 NQ 0.9192
520 FFP 0.9192
521 KIV 0.9190
522 B55 0.9189
523 IFL 0.9187
524 271 0.9187
525 SE2 0.9185
526 XCZ 0.9184
527 BVF 0.9184
528 SKA 0.9184
529 I1E 0.9183
530 MZG 0.9182
531 TAR 0.9181
532 SYV 0.9181
533 G2F 0.9180
534 FBB 0.9179
535 26D 0.9178
536 54D 0.9177
537 2MY 0.9177
538 PYQ 0.9176
539 LCN 0.9176
540 4JU 0.9174
541 JAB 0.9173
542 8IG 0.9173
543 75K 0.9172
544 BDP 0.9172
545 7MH 0.9170
546 3MA 0.9170
547 KLW 0.9168
548 LG5 0.9168
549 36R 0.9167
550 HQD 0.9167
551 0W8 0.9165
552 86J 0.9164
553 D48 0.9164
554 CRN 0.9164
555 CLW 0.9163
556 TPA 0.9163
557 SVD 0.9160
558 BR8 0.9159
559 40O 0.9159
560 F4Z 0.9158
561 5JQ 0.9157
562 4CL 0.9157
563 JZ5 0.9157
564 8LG 0.9156
565 VK3 0.9156
566 NDH 0.9156
567 CAQ 0.9155
568 23J 0.9155
569 4JJ 0.9155
570 1AB 0.9155
571 J5I 0.9154
572 2CM 0.9154
573 MZW 0.9154
574 LMR 0.9153
575 1MR 0.9152
576 JUG 0.9152
577 ORO 0.9151
578 3CE 0.9151
579 51R 0.9150
580 6MH 0.9150
581 C2A 0.9150
582 IUR 0.9149
583 PBE 0.9149
584 4P5 0.9148
585 3DO 0.9148
586 DUB 0.9147
587 HY1 0.9147
588 QOS 0.9146
589 2A7 0.9146
590 TC7 0.9146
591 2EC 0.9144
592 TEP 0.9143
593 PHT 0.9142
594 NOY 0.9142
595 97T 0.9141
596 8TX 0.9140
597 QWN 0.9138
598 DRL 0.9138
599 TZE 0.9138
600 IHB 0.9137
601 OHP 0.9137
602 JFD 0.9136
603 4ZC 0.9136
604 34D 0.9135
605 PLQ 0.9135
606 680 0.9134
607 J9Q 0.9134
608 MNM 0.9134
609 3RK 0.9133
610 R8S 0.9132
611 ASO 0.9132
612 13X 0.9132
613 KJY 0.9131
614 9CL 0.9131
615 XAZ 0.9130
616 98J 0.9129
617 TEO 0.9129
618 HYP 0.9128
619 8GF 0.9128
620 YAN 0.9127
621 7MU 0.9126
622 GZL 0.9124
623 3MB 0.9122
624 LEU 0.9122
625 IV2 0.9121
626 FPY 0.9121
627 3NY 0.9120
628 AW5 0.9120
629 1DU 0.9120
630 TSU 0.9119
631 ES2 0.9118
632 JZ2 0.9117
633 LG4 0.9117
634 1AN 0.9116
635 KJU 0.9116
636 FUC 0.9116
637 2HQ 0.9115
638 2MH 0.9115
639 QXW 0.9114
640 CTS 0.9114
641 3MH 0.9112
642 CXF 0.9112
643 F12 0.9111
644 1P8 0.9110
645 FBW 0.9110
646 QBK 0.9110
647 5AN 0.9110
648 4JO 0.9109
649 DHK 0.9109
650 G1O 0.9108
651 MR1 0.9108
652 HQE 0.9108
653 DUC 0.9108
654 PHU 0.9107
655 EKZ 0.9107
656 9X7 0.9106
657 KT7 0.9106
658 5VM 0.9106
659 M4T 0.9106
660 0HO 0.9106
661 OVM 0.9105
662 1DQ 0.9105
663 PAF 0.9104
664 5WY 0.9104
665 260 0.9104
666 VAL 0.9103
667 6UA 0.9101
668 EDG 0.9100
669 YSO 0.9099
670 RIP 0.9099
671 7ZE 0.9098
672 IDH 0.9098
673 ECE 0.9098
674 MWJ 0.9097
675 TLD 0.9097
676 2ZQ 0.9096
677 FCR 0.9095
678 M2H 0.9095
679 938 0.9095
680 5RO 0.9094
681 PRZ 0.9093
682 MWP 0.9092
683 PEZ 0.9092
684 K2T 0.9091
685 AX2 0.9090
686 DIE 0.9089
687 VNL 0.9088
688 BEW 0.9088
689 ALL 0.9088
690 GDE 0.9086
691 92Z 0.9086
692 RM4 0.9086
693 0MK 0.9086
694 OK7 0.9085
695 BP9 0.9083
696 278 0.9082
697 3R6 0.9081
698 FPN 0.9081
699 35C 0.9081
700 LYL 0.9080
701 CIG 0.9080
702 SOE 0.9079
703 2H5 0.9078
704 URQ 0.9078
705 HTS 0.9077
706 27Y 0.9077
707 TFB 0.9077
708 0N7 0.9076
709 MNN 0.9074
710 S76 0.9074
711 3DM 0.9074
712 F9P 0.9074
713 FP2 0.9074
714 PEL 0.9073
715 BEA 0.9072
716 DS0 0.9072
717 QY9 0.9072
718 2CH 0.9071
719 23W 0.9071
720 4H2 0.9070
721 IFP 0.9070
722 MO8 0.9070
723 PCR 0.9070
724 DAS 0.9068
725 NID 0.9067
726 LRH 0.9067
727 6NT 0.9066
728 COI 0.9065
729 HDH 0.9065
730 TTY 0.9065
731 DA1 0.9064
732 HGQ 0.9064
733 INE 0.9063
734 BR9 0.9063
735 HFB 0.9063
736 93Q 0.9063
737 2AF 0.9062
738 PFB 0.9061
739 ITN 0.9061
740 Z6J 0.9060
741 WOT 0.9060
742 VGD 0.9060
743 2XX 0.9059
744 OXE 0.9059
745 GOO 0.9059
746 EVA 0.9059
747 R2B 0.9058
748 AGK 0.9058
749 PEA 0.9058
750 QPR 0.9057
751 PRY 0.9057
752 G4D 0.9057
753 329 0.9056
754 3AY 0.9056
755 RMN 0.9056
756 HZP 0.9055
757 HSE 0.9055
758 MAE 0.9055
759 B3R 0.9054
760 AFR 0.9053
761 UEG 0.9052
762 6X8 0.9052
763 FLA 0.9052
764 RBL 0.9051
765 12M 0.9050
766 DOR 0.9050
767 5CL 0.9050
768 64K 0.9050
769 AAS 0.9049
770 ALO 0.9048
771 HIS 0.9048
772 CN0 0.9047
773 MAN 0.9047
774 GCU 0.9047
775 SHG 0.9046
776 5ZE 0.9046
777 MRZ 0.9046
778 J9T 0.9045
779 CIZ 0.9044
780 BDF 0.9040
781 AC5 0.9040
782 4XX 0.9039
783 2CL 0.9039
784 R1X 0.9037
785 LGC 0.9037
786 0HN 0.9036
787 JZ0 0.9036
788 WDL 0.9035
789 HEW 0.9035
790 F9Y 0.9034
791 F0J 0.9034
792 25R 0.9034
793 5JL 0.9033
794 OW4 0.9033
795 TMZ 0.9033
796 PRS 0.9032
797 4ME 0.9031
798 4JL 0.9030
799 C2B 0.9028
800 M3T 0.9027
801 76X 0.9027
802 PXY 0.9026
803 SAN 0.9025
804 FRU 0.9021
805 2LY 0.9020
806 CFF 0.9020
807 1DV 0.9020
808 THE 0.9019
809 SKM 0.9018
810 52C 0.9016
811 MUA 0.9016
812 IHG 0.9015
813 RNS 0.9013
814 PEP 0.9012
815 4HM 0.9011
816 ABI 0.9011
817 2ZM 0.9010
818 8OZ 0.9010
819 B60 0.9008
820 DFU 0.9008
821 2MN 0.9007
822 7WG 0.9007
823 DMJ 0.9006
824 D1X 0.9006
825 NXA 0.9004
826 H76 0.9004
827 Y8I 0.9003
828 ZBT 0.9002
829 ASN 0.9000
830 MFB 0.8999
831 BCF 0.8999
832 RB5 0.8998
833 APZ 0.8998
834 X05 0.8998
835 XBT 0.8998
836 BMA 0.8998
837 XYL 0.8996
838 GIF 0.8995
839 F1A 0.8994
840 2FG 0.8992
841 A09 0.8992
842 IMR 0.8991
843 2HU 0.8990
844 4YO 0.8990
845 ROR 0.8988
846 FBA 0.8988
847 SC2 0.8987
848 4JM 0.8986
849 XUL 0.8985
850 FUB 0.8985
851 YTB 0.8985
852 MQN 0.8984
853 069 0.8983
854 I1N 0.8983
855 ICF 0.8981
856 92P 0.8981
857 ILE 0.8981
858 717 0.8981
859 BBF 0.8981
860 45L 0.8981
861 FCA 0.8980
862 GJZ 0.8979
863 X0V 0.8978
864 Z5P 0.8978
865 ERH 0.8978
866 AKB 0.8978
867 TAG 0.8977
868 ARA 0.8976
869 PXM 0.8975
870 IBF 0.8975
871 6RQ 0.8974
872 4M4 0.8974
873 EUG 0.8974
874 2RH 0.8974
875 THR 0.8974
876 AUD 0.8974
877 UAN 0.8973
878 BML 0.8973
879 KBG 0.8971
880 2ZX 0.8970
881 JA8 0.8968
882 4JQ 0.8967
883 FCB 0.8967
884 GOG 0.8966
885 V55 0.8966
886 1F1 0.8966
887 5NI 0.8964
888 XLS 0.8960
889 TBP 0.8960
890 ZXD 0.8960
891 C2Y 0.8959
892 CEE 0.8959
893 DHR 0.8957
894 FA1 0.8956
895 6NI 0.8955
896 4J8 0.8955
897 H8N 0.8955
898 WOO 0.8954
899 XHP 0.8953
900 2BG 0.8953
901 4NM 0.8953
902 JAW 0.8952
903 8WT 0.8951
904 8WO 0.8950
905 PAC 0.8950
906 GLA 0.8950
907 EHM 0.8948
908 CXL 0.8948
909 0TU 0.8947
910 OVP 0.8946
911 ARW 0.8946
912 4HS 0.8945
913 3A9 0.8944
914 NDM 0.8943
915 12B 0.8942
916 DQN 0.8941
917 CYH 0.8941
918 MAQ 0.8939
919 SIN 0.8939
920 LDP 0.8939
921 KP6 0.8937
922 FBS 0.8934
923 6JN 0.8934
924 3SL 0.8934
925 AMS 0.8933
926 4CH 0.8933
927 GCB 0.8933
928 TMT 0.8931
929 ICC 0.8931
930 PDC 0.8931
931 0JD 0.8931
932 9FL 0.8930
933 XIY 0.8930
934 M6W 0.8927
935 5GU 0.8926
936 B62 0.8926
937 6HQ 0.8926
938 AEF 0.8925
939 2AK 0.8924
940 HPY 0.8923
941 HAI 0.8923
942 HHQ 0.8922
943 L99 0.8922
944 N8Y 0.8920
945 QX2 0.8917
946 4NG 0.8916
947 4MU 0.8916
948 69O 0.8916
949 GJS 0.8916
950 D3M 0.8916
951 QSH 0.8915
952 PCI 0.8915
953 FUF 0.8915
954 PKU 0.8914
955 A13 0.8913
956 OTW 0.8912
957 GM7 0.8911
958 TM4 0.8911
959 ANN 0.8911
960 LKA 0.8911
961 1XX 0.8910
962 HCS 0.8910
963 AJV 0.8909
964 0FO 0.8909
965 94N 0.8908
966 ZZ3 0.8907
967 FGZ 0.8907
968 GIV 0.8907
969 IOM 0.8906
970 PQ0 0.8905
971 JFJ 0.8905
972 9KT 0.8905
973 F31 0.8904
974 259 0.8903
975 K34 0.8902
976 F3B 0.8901
977 GTR 0.8901
978 TOF 0.8900
979 44W 0.8900
980 MSN 0.8900
981 D07 0.8899
982 4FH 0.8898
983 QAS 0.8896
984 1M2 0.8896
985 149 0.8894
986 X09 0.8893
987 QDK 0.8892
988 6VD 0.8892
989 SRO 0.8892
990 MVN 0.8890
991 OMD 0.8890
992 4WL 0.8889
993 4JN 0.8889
994 7VJ 0.8888
995 MRY 0.8886
996 PRF 0.8886
997 AL0 0.8883
998 LNR 0.8883
999 QWW 0.8882
1000 QX4 0.8882
1001 DGJ 0.8882
1002 4TU 0.8881
1003 285 0.8879
1004 0LH 0.8878
1005 DEE 0.8876
1006 LDU 0.8876
1007 TBS 0.8875
1008 4PW 0.8875
1009 IF7 0.8873
1010 32O 0.8873
1011 GZ8 0.8872
1012 4ZA 0.8872
1013 0F9 0.8872
1014 MZ0 0.8871
1015 E5X 0.8870
1016 8ZE 0.8867
1017 TZL 0.8867
1018 RPQ 0.8866
1019 RUU 0.8866
1020 4P0 0.8863
1021 N7P 0.8862
1022 HIU 0.8862
1023 GAF 0.8861
1024 X6X 0.8861
1025 PA1 0.8860
1026 K17 0.8860
1027 MBN 0.8859
1028 GRO 0.8859
1029 DQU 0.8858
1030 N2I 0.8858
1031 PBA 0.8858
1032 4SX 0.8857
1033 TSS 0.8857
1034 PNZ 0.8856
1035 2A9 0.8855
1036 SR1 0.8855
1037 GXL 0.8854
1038 SMN 0.8853
1039 HA7 0.8852
1040 EDR 0.8851
1041 QAT 0.8848
1042 OTR 0.8848
1043 TGX 0.8847
1044 GLU 0.8844
1045 2PG 0.8843
1046 XSP 0.8843
1047 OHG 0.8843
1048 YHO 0.8843
1049 ABE 0.8842
1050 DTL 0.8841
1051 KIA 0.8840
1052 KIB 0.8840
1053 5DI 0.8839
1054 1SA 0.8834
1055 KG7 0.8833
1056 DHS 0.8832
1057 GLF 0.8831
1058 3MG 0.8829
1059 H62 0.8828
1060 GXE 0.8827
1061 PEQ 0.8827
1062 MBG 0.8826
1063 N2Z 0.8824
1064 1U6 0.8824
1065 GUA 0.8824
1066 N8P 0.8823
1067 H3M 0.8823
1068 YIO 0.8822
1069 RBJ 0.8822
1070 FUM 0.8820
1071 NVI 0.8817
1072 6LW 0.8812
1073 6KX 0.8811
1074 SIF 0.8811
1075 44V 0.8810
1076 CMS 0.8810
1077 1GN 0.8809
1078 BPN 0.8809
1079 2AS 0.8806
1080 2TQ 0.8805
1081 SN4 0.8805
1082 SEJ 0.8805
1083 BCU 0.8804
1084 SNE 0.8803
1085 KPL 0.8802
1086 9CA 0.8801
1087 AKG 0.8801
1088 JB8 0.8800
1089 V1L 0.8800
1090 1AL 0.8799
1091 9RW 0.8799
1092 NVU 0.8798
1093 CWJ 0.8798
1094 IPH 0.8798
1095 449 0.8798
1096 JDN 0.8797
1097 YQA 0.8796
1098 TCZ 0.8795
1099 4FA 0.8795
1100 0V5 0.8790
1101 PD2 0.8787
1102 JYD 0.8787
1103 IOL 0.8785
1104 LI6 0.8784
1105 ENL 0.8783
1106 9X6 0.8783
1107 2KT 0.8781
1108 IPM 0.8780
1109 1IT 0.8778
1110 94B 0.8778
1111 H33 0.8775
1112 0FN 0.8774
1113 ADA 0.8773
1114 MLA 0.8773
1115 NTZ 0.8772
1116 YRL 0.8771
1117 FA3 0.8771
1118 RNT 0.8768
1119 GOX 0.8768
1120 SOR 0.8767
1121 SXS 0.8764
1122 T2C 0.8760
1123 3V4 0.8757
1124 JXN 0.8757
1125 209 0.8756
1126 4XV 0.8755
1127 HVQ 0.8754
1128 FH2 0.8753
1129 HSM 0.8752
1130 SF9 0.8751
1131 DSN 0.8751
1132 GLT 0.8749
1133 3PY 0.8749
1134 PHH 0.8749
1135 AHB 0.8748
1136 2IM 0.8748
1137 SPV 0.8747
1138 AMH 0.8745
1139 8K2 0.8744
1140 HSO 0.8743
1141 6ME 0.8743
1142 G2H 0.8742
1143 CEJ 0.8741
1144 2AP 0.8740
1145 NK2 0.8740
1146 8EW 0.8739
1147 GV9 0.8738
1148 3AP 0.8738
1149 BK9 0.8737
1150 23B 0.8736
1151 24T 0.8736
1152 4BZ 0.8736
1153 DQA 0.8735
1154 MT5 0.8734
1155 DGY 0.8734
1156 HVK 0.8733
1157 HRZ 0.8731
1158 7B3 0.8729
1159 4AP 0.8727
1160 FDK 0.8723
1161 DNF 0.8722
1162 KFH 0.8721
1163 9PO 0.8721
1164 15E 0.8720
1165 HL5 0.8718
1166 7ME 0.8718
1167 A2Q 0.8718
1168 GXY 0.8715
1169 BVG 0.8715
1170 948 0.8713
1171 GZ3 0.8710
1172 9YL 0.8710
1173 SER 0.8710
1174 K8X 0.8707
1175 PEY 0.8705
1176 KSW 0.8704
1177 HC4 0.8704
1178 MB3 0.8703
1179 AS3 0.8700
1180 25T 0.8698
1181 MLI 0.8698
1182 MFU 0.8698
1183 TYL 0.8696
1184 269 0.8694
1185 EV0 0.8692
1186 ZVO 0.8692
1187 ZWZ 0.8691
1188 94W 0.8691
1189 A65 0.8689
1190 8CL 0.8688
1191 E60 0.8685
1192 PPR 0.8684
1193 CLZ 0.8682
1194 FBU 0.8681
1195 LGA 0.8681
1196 BVC 0.8679
1197 II6 0.8678
1198 DPZ 0.8674
1199 VOH 0.8670
1200 MMZ 0.8670
1201 HQJ 0.8670
1202 C5J 0.8669
1203 2FQ 0.8668
1204 4XS 0.8667
1205 TTO 0.8664
1206 5NE 0.8662
1207 R9Y 0.8662
1208 HNQ 0.8660
1209 3AL 0.8659
1210 UFV 0.8658
1211 JND 0.8654
1212 DTI 0.8650
1213 7WR 0.8647
1214 HYN 0.8646
1215 GLL 0.8646
1216 SEP 0.8644
1217 9R5 0.8642
1218 OEM 0.8638
1219 APG 0.8637
1220 CSS 0.8637
1221 KDV 0.8632
1222 PHE 0.8631
1223 SFU 0.8631
1224 MJ2 0.8629
1225 GCV 0.8628
1226 R67 0.8627
1227 HHN 0.8627
1228 GCO 0.8623
1229 P2D 0.8619
1230 LT8 0.8618
1231 CDV 0.8617
1232 2F6 0.8615
1233 DXX 0.8610
1234 PIM 0.8610
1235 DCL 0.8609
1236 HQ9 0.8608
1237 95Z 0.8604
1238 FUD 0.8603
1239 XRG 0.8600
1240 OA3 0.8599
1241 ONR 0.8598
1242 93B 0.8595
1243 PX7 0.8594
1244 15N 0.8590
1245 K6X 0.8590
1246 XIX 0.8589
1247 KTA 0.8589
1248 HHH 0.8588
1249 1DH 0.8586
1250 LFR 0.8583
1251 34V 0.8581
1252 6OT 0.8580
1253 7D2 0.8578
1254 FX1 0.8578
1255 8XQ 0.8577
1256 GG6 0.8577
1257 60Q 0.8574
1258 ZZ8 0.8572
1259 PIH 0.8562
1260 DTU 0.8553
1261 FW5 0.8550
1262 ZYR 0.8549
1263 MUC 0.8547
1264 2FT 0.8542
1265 GLY PRO 0.8541
1266 PIY 0.8538
1267 QMP 0.8538
1268 BZ2 0.8534
1269 7MX 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FP4; Ligand: YC8; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5fp4.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6IP0 AKG 43.7126
Pocket No.: 2; Query (leader) PDB : 5FP4; Ligand: YC8; 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: 5fp4.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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