Receptor
PDB id Resolution Class Description Source Keywords
7C60 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF KEAP1 IN COMPLEX WITH MONOETHYL FUMARAT MUS MUSCULUS BETA-PROPELLER DOMAIN OXIDATIVE STRESS KEAP1-NRF2 SYSTEM INHIBITOR COMPLEX CYTOSOLIC PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE MULTIPLE BINDING MODES DIMETHYL FUMARATE (DMF) AND ITS ANALOGS TO THE KELC OF KEAP1. FEBS J. 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:802;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
SO4 A:805;
A:804;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
NF3 A:803;
A:801;
 Valid;
Valid;
 none;
none;
 Kd = 27 nM
144.125 C6 H8 O4 CCOC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FNU 1.78 Å NON-ENZYME: OTHER STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL INHIBITOR. MUS MUSCULUS TRANSCRIPTION KEAP1 NRF2 OXIDATIVE STRESS
Ref.: MONO-ACIDIC INHIBITORS OF THE KELCH-LIKE ECH-ASSOCI PROTEIN 1 : NUCLEAR FACTOR ERYTHROID 2-RELATED FACT (KEAP1:NRF2) PROTEIN-PROTEIN INTERACTION WITH HIGH POTENCY IDENTIFIED BY FRAGMENT-BASED DISCOVERY. J.MED.CHEM. V. 59 3991 2016
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
30 6QMK ic50 = 0.047 uM J8H C27 H28 N4 O6 S Cc1ccc(cc1....
31 6FMQ - ACE DYW GLU THR GLY GLU LEU n/a n/a
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
30 6QMK ic50 = 0.047 uM J8H C27 H28 N4 O6 S Cc1ccc(cc1....
31 6FMQ - ACE DYW GLU THR GLY GLU LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NF3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NF3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: NF3; Similar ligands found: 598
No: Ligand Similarity coefficient
1 AKG 0.9633
2 OKG 0.9614
3 OGA 0.9573
4 GLY GLY 0.9551
5 2HG 0.9527
6 N6C 0.9525
7 X1R 0.9513
8 DZA 0.9477
9 AE3 0.9477
10 GLU 0.9476
11 AG2 0.9469
12 AEF 0.9466
13 S2G 0.9463
14 7UC 0.9462
15 PZM 0.9458
16 C2B 0.9392
17 717 0.9389
18 ACA 0.9355
19 OC9 0.9346
20 OTR 0.9346
21 BPN 0.9345
22 PNZ 0.9345
23 RBJ 0.9344
24 G3H 0.9329
25 HDH 0.9326
26 OCA 0.9315
27 KQY 0.9312
28 HBA 0.9310
29 NSD 0.9309
30 YRL 0.9309
31 MEQ 0.9294
32 KMT 0.9287
33 PSE 0.9284
34 OYA 0.9283
35 EOU 0.9280
36 E5X 0.9279
37 SHV 0.9276
38 HPN 0.9275
39 2BG 0.9275
40 G3P 0.9273
41 4NM 0.9268
42 16D 0.9260
43 PGH 0.9256
44 MR1 0.9250
45 13P 0.9250
46 TYL 0.9245
47 HQJ 0.9242
48 DHR 0.9241
49 PBZ 0.9239
50 RA7 0.9234
51 4VP 0.9234
52 ZGL 0.9229
53 IXW 0.9228
54 HSO 0.9228
55 ORN 0.9227
56 RJY 0.9223
57 492 0.9218
58 URO 0.9213
59 NPO 0.9207
60 AEG 0.9205
61 AMH 0.9203
62 HBD 0.9203
63 LDP 0.9203
64 1GP 0.9201
65 BHH 0.9197
66 R20 0.9196
67 FBA 0.9193
68 GP9 0.9187
69 NTU 0.9184
70 AL0 0.9182
71 5XC 0.9181
72 3OM 0.9179
73 AC6 0.9175
74 650 0.9174
75 JB8 0.9167
76 ANN 0.9165
77 XYL 0.9161
78 RB5 0.9161
79 NLE 0.9160
80 3PG 0.9160
81 JDN 0.9159
82 PG0 0.9155
83 259 0.9155
84 ISZ 0.9150
85 0VT 0.9150
86 F4E 0.9145
87 LTL 0.9145
88 3LR 0.9145
89 GJZ 0.9139
90 FOC 0.9138
91 795 0.9135
92 DE5 0.9132
93 MET 0.9130
94 CXF 0.9129
95 6TZ 0.9126
96 GOJ 0.9126
97 E4P 0.9124
98 3OL 0.9123
99 6XA 0.9122
100 IWT 0.9121
101 YZM 0.9120
102 SN4 0.9119
103 RAT 0.9117
104 45L 0.9116
105 XRG 0.9115
106 GLN 0.9115
107 TAG 0.9113
108 CFI 0.9113
109 MSR 0.9112
110 LYS 0.9107
111 XM0 0.9103
112 AMS 0.9103
113 PHB 0.9102
114 AOS 0.9102
115 SNO 0.9100
116 HG3 0.9099
117 7BC 0.9094
118 NYL 0.9093
119 OCT 0.9091
120 4JM 0.9088
121 SHO 0.9088
122 DQY 0.9081
123 RNO 0.9081
124 PO6 0.9081
125 5OB 0.9080
126 HIC 0.9079
127 SDD 0.9072
128 DAV 0.9072
129 M45 0.9071
130 ASP 0.9068
131 GUA 0.9067
132 HPV 0.9067
133 SAN 0.9067
134 KOJ 0.9067
135 5XB 0.9063
136 1M2 0.9062
137 6NT 0.9061
138 K6V 0.9059
139 2IT 0.9055
140 49F 0.9051
141 4BZ 0.9048
142 P80 0.9047
143 TCA 0.9046
144 S8V 0.9045
145 CCU 0.9045
146 ONH 0.9043
147 P72 0.9041
148 5XA 0.9041
149 TZL 0.9037
150 BHO 0.9036
151 PRO GLY 0.9035
152 SD4 0.9034
153 COI 0.9033
154 MPJ 0.9033
155 42J 0.9032
156 011 0.9029
157 FQI 0.9026
158 FUM 0.9023
159 MLZ 0.9022
160 DHY 0.9021
161 OW4 0.9021
162 6NA 0.9019
163 N2I 0.9018
164 HC4 0.9018
165 SSC 0.9018
166 CPZ 0.9017
167 FOM 0.9016
168 7VP 0.9014
169 4WL 0.9014
170 RNS 0.9013
171 GLY GLY GLY 0.9011
172 O45 0.9011
173 NIZ 0.9008
174 VKC 0.9007
175 2CO 0.9007
176 7MW 0.9007
177 HCI 0.9005
178 1N5 0.9003
179 AHN 0.9003
180 2BX 0.9002
181 36Y 0.9000
182 8ZE 0.8999
183 E79 0.8999
184 ENW 0.8997
185 PAB 0.8996
186 I3E 0.8996
187 SIN 0.8996
188 XIZ 0.8995
189 CCE 0.8994
190 GRQ 0.8993
191 DHB 0.8993
192 LNR 0.8993
193 14J 0.8988
194 KDG 0.8983
195 7O4 0.8980
196 BPW 0.8979
197 MAE 0.8977
198 TPA 0.8976
199 HHI 0.8975
200 8WO 0.8975
201 8SZ 0.8971
202 AAS 0.8969
203 SNU 0.8967
204 Q07 0.8965
205 URS 0.8963
206 ESP 0.8960
207 9R5 0.8959
208 4MV 0.8959
209 3NY 0.8958
210 SSB 0.8955
211 AJ3 0.8955
212 Z82 0.8952
213 HL4 0.8951
214 D3G 0.8950
215 258 0.8949
216 ES2 0.8949
217 IP8 0.8949
218 HPP 0.8948
219 N4E 0.8948
220 8GL 0.8947
221 GWM 0.8945
222 826 0.8944
223 BZ3 0.8944
224 H8N 0.8944
225 CWJ 0.8944
226 PGA 0.8942
227 LMR 0.8942
228 OW7 0.8942
229 173 0.8942
230 FCR 0.8942
231 PDC 0.8941
232 Z13 0.8940
233 P81 0.8940
234 PHU 0.8940
235 SRT 0.8938
236 6NI 0.8934
237 MAH 0.8930
238 4SD 0.8930
239 GGL 0.8928
240 5LA 0.8928
241 HIS 0.8927
242 SPD 0.8926
243 463 0.8924
244 4P5 0.8924
245 DER 0.8924
246 TYR 0.8923
247 5NI 0.8922
248 TSU 0.8920
249 9ON 0.8920
250 OVP 0.8920
251 3H2 0.8919
252 0L1 0.8918
253 PH3 0.8917
254 M3H 0.8916
255 4MA 0.8916
256 AES 0.8915
257 GCO 0.8913
258 ABI 0.8912
259 HMU 0.8912
260 K34 0.8912
261 LQ2 0.8909
262 M4S 0.8907
263 RBL 0.8907
264 PBN 0.8905
265 2QC 0.8904
266 LLH 0.8902
267 152 0.8902
268 PEA 0.8895
269 4ZA 0.8895
270 PRA 0.8893
271 CLW 0.8892
272 C82 0.8886
273 ESX 0.8884
274 0HN 0.8883
275 BHL 0.8881
276 C1M 0.8881
277 BHL BHL 0.8881
278 L14 0.8880
279 0HO 0.8879
280 OK7 0.8877
281 KMH 0.8876
282 4FA 0.8876
283 36R 0.8876
284 ILE 0.8876
285 PD2 0.8875
286 PZI 0.8874
287 OEG 0.8874
288 93K 0.8873
289 8NB 0.8872
290 FBJ 0.8872
291 1F1 0.8870
292 DYA 0.8868
293 4NC 0.8868
294 2A9 0.8866
295 2AL 0.8866
296 TLA 0.8865
297 2MI 0.8864
298 I1E 0.8864
299 4JQ 0.8861
300 SOR 0.8860
301 NSP 0.8860
302 64Z 0.8859
303 MEV 0.8858
304 4TB 0.8858
305 PIM 0.8858
306 OOG 0.8858
307 JAW 0.8857
308 MQN 0.8857
309 1P8 0.8857
310 MED 0.8857
311 9GB 0.8856
312 PKU 0.8856
313 OAA 0.8855
314 LEU 0.8855
315 VGD 0.8855
316 KBZ 0.8855
317 CHH 0.8852
318 DEZ 0.8851
319 PPY 0.8850
320 TZF 0.8849
321 HX3 0.8849
322 2ZM 0.8847
323 HX2 0.8844
324 DIA 0.8844
325 AT3 0.8843
326 TIU 0.8841
327 BNL 0.8841
328 4HP 0.8840
329 PBA 0.8839
330 6KT 0.8838
331 8H8 0.8838
332 MHN 0.8837
333 3HG 0.8835
334 3DM 0.8835
335 DOB 0.8832
336 OVM 0.8831
337 FUD 0.8831
338 FBS 0.8830
339 4BL 0.8830
340 X0V 0.8829
341 UA5 0.8829
342 9ZE 0.8827
343 RD4 0.8825
344 SME 0.8824
345 1SA 0.8824
346 SEP 0.8823
347 EKZ 0.8823
348 428 0.8822
349 36E 0.8822
350 36M 0.8819
351 NFA 0.8819
352 DGL 0.8818
353 LUQ 0.8818
354 4JC 0.8817
355 11C 0.8816
356 1Y6 0.8815
357 NFM 0.8814
358 HPL 0.8814
359 GPJ 0.8813
360 XLS 0.8813
361 4BY 0.8813
362 3ZB 0.8812
363 PHE 0.8812
364 3A9 0.8811
365 PG3 0.8810
366 MLT 0.8808
367 BSX 0.8807
368 2FY 0.8807
369 YPN 0.8806
370 DAL DAL 0.8803
371 BZ2 0.8802
372 F9P 0.8800
373 PEP 0.8800
374 269 0.8800
375 2HU 0.8800
376 K2T 0.8800
377 3AL 0.8798
378 FYU 0.8798
379 S7J 0.8798
380 B09 0.8798
381 BML 0.8796
382 A7N 0.8795
383 DXP 0.8795
384 PAC 0.8794
385 PEL 0.8789
386 2HC 0.8788
387 MZT 0.8786
388 FIX 0.8785
389 HMH 0.8785
390 D2G 0.8784
391 NM2 0.8784
392 J9N 0.8783
393 DI6 0.8783
394 11S 0.8781
395 FBB 0.8780
396 4LW 0.8779
397 TGX 0.8777
398 ARG 0.8777
399 JLZ 0.8776
400 0TU 0.8776
401 4V2 0.8775
402 XX2 0.8775
403 5CU 0.8774
404 4FH 0.8773
405 CCD 0.8773
406 AZM 0.8770
407 4JL 0.8770
408 CS2 0.8768
409 A5E 0.8767
410 B40 0.8766
411 HY1 0.8766
412 J6W 0.8765
413 4M0 0.8763
414 IFP 0.8761
415 DVQ 0.8760
416 1L5 0.8760
417 HX4 0.8759
418 M4T 0.8755
419 DHI 0.8754
420 1CO 0.8754
421 80G 0.8753
422 GO2 0.8752
423 DHM 0.8751
424 363 0.8751
425 XIY 0.8750
426 BHA 0.8749
427 OHJ 0.8748
428 CEE 0.8745
429 UNJ 0.8744
430 MTL 0.8744
431 4LR 0.8743
432 H42 0.8742
433 5MI 0.8741
434 TIH 0.8741
435 PML 0.8741
436 LR5 0.8740
437 IPB 0.8740
438 FBF 0.8740
439 SRO 0.8740
440 E7S 0.8739
441 J9T 0.8738
442 X1S 0.8738
443 3S5 0.8738
444 JA8 0.8735
445 JFJ 0.8732
446 4YO 0.8731
447 NM3 0.8729
448 ICB 0.8726
449 3YP 0.8726
450 6SD 0.8726
451 HHH 0.8725
452 M6W 0.8724
453 PC 0.8724
454 263 0.8722
455 14O 0.8720
456 BZX 0.8720
457 BEN 0.8719
458 FA0 0.8717
459 H4N 0.8716
460 4NB 0.8713
461 4NZ 0.8712
462 PIY 0.8710
463 ES9 0.8710
464 FA1 0.8710
465 174 0.8708
466 DIR 0.8706
467 KLE 0.8706
468 JAH 0.8705
469 3AE 0.8705
470 RM1 0.8701
471 FK1 0.8700
472 IHB 0.8699
473 CIR 0.8699
474 N4B 0.8699
475 5MB 0.8699
476 SW7 0.8694
477 4I8 0.8694
478 HGA 0.8693
479 LT1 0.8693
480 IAC 0.8690
481 4JT 0.8689
482 QSB 0.8689
483 BCH 0.8688
484 9FL 0.8687
485 4JE 0.8686
486 GPF 0.8686
487 TH7 0.8684
488 12T 0.8683
489 1SH 0.8682
490 D10 0.8680
491 GLO 0.8680
492 REL 0.8680
493 ENV 0.8678
494 7WG 0.8678
495 MPV 0.8677
496 AOT 0.8677
497 3W8 0.8677
498 DXG 0.8676
499 9NB 0.8675
500 NCT 0.8675
501 2AQ 0.8674
502 P7Y 0.8673
503 H4E 0.8671
504 GLR 0.8671
505 2LP 0.8667
506 GVY 0.8665
507 4NP 0.8663
508 8OZ 0.8661
509 MAJ 0.8660
510 CTL 0.8658
511 TYE 0.8658
512 TSS 0.8656
513 PBC 0.8655
514 1HS 0.8655
515 XUL 0.8655
516 K82 0.8654
517 AMC 0.8654
518 069 0.8653
519 O8Y 0.8652
520 NMH 0.8648
521 S2P 0.8648
522 0BP 0.8645
523 4LV 0.8644
524 92G 0.8644
525 BAM 0.8640
526 P9P 0.8640
527 HSM 0.8638
528 129 0.8638
529 GZ3 0.8638
530 5SP 0.8635
531 5NU 0.8635
532 LVD 0.8634
533 FHC 0.8633
534 LX1 0.8633
535 4XR 0.8633
536 R67 0.8632
537 SMN 0.8632
538 3QM 0.8632
539 SYV 0.8629
540 NCA 0.8628
541 ENO 0.8627
542 GVM 0.8626
543 ABV 0.8625
544 ICO 0.8622
545 JND 0.8621
546 CHB 0.8620
547 2EH 0.8620
548 GLL 0.8619
549 FAN 0.8619
550 1A7 0.8618
551 HNK 0.8614
552 4CM 0.8614
553 W81 0.8613
554 HE2 0.8612
555 M5E 0.8611
556 RTK 0.8610
557 3VS 0.8610
558 2O6 0.8608
559 7MU 0.8607
560 A29 0.8607
561 HP6 0.8605
562 4XV 0.8602
563 GVA 0.8601
564 ALE 0.8597
565 MSL 0.8596
566 MZM 0.8594
567 9RW 0.8594
568 SYN 0.8593
569 GVG 0.8591
570 5RN 0.8591
571 5GU 0.8588
572 C5A 0.8587
573 ABN 0.8586
574 2MH 0.8582
575 7OD 0.8580
576 EVF 0.8580
577 4TP 0.8580
578 LYL 0.8576
579 LT2 0.8572
580 DGJ 0.8572
581 XDE 0.8567
582 268 0.8567
583 9X7 0.8567
584 2FX 0.8561
585 NSB 0.8559
586 NWH 0.8558
587 PLU 0.8556
588 EXD 0.8553
589 YIV 0.8551
590 EN1 0.8549
591 4XF 0.8546
592 6C8 0.8544
593 86L 0.8536
594 KTW 0.8525
595 RES 0.8523
596 P9E 0.8512
597 YI6 0.8511
598 BNS 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FNU; Ligand: L6I; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5fnu.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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