Receptor
PDB id Resolution Class Description Source Keywords
4RQL 2.1 Å EC: 1.14.13.- CRYSTAL STRUCTURE OF A HUMAN CYTOCHROME P450 2B6 (Y226H/K262 COMPLEX WITH A MONOTERPENE - SABINENE HOMO SAPIENS P450 CYTOCHROME P450 2B6 MONOOXYGENASE MEMBRANE PROTEIN ENDOPLASMIC RETICULUM HEME IRON METAL BINDING MICROSOMEOXIDOREDUCTASE
Ref.: STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF HUMA CYTOCHROMES P450 2B6 AND 2A6 BOUND TO VOLATILE HYDR ANALYSIS AND COMPARISON. MOL.PHARMACOL. V. 87 649 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CM5 B:505;
A:504;
A:502;
A:503;
B:503;
B:504;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
494.573 C23 H42 O11 C1CCC...
HEM B:501;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SNE B:502;
A:505;
Valid;
Valid;
none;
none;
Kd = 0.08 uM
136.234 C10 H16 CC(C)...
EDO A:506;
B:506;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RQL 2.1 Å EC: 1.14.13.- CRYSTAL STRUCTURE OF A HUMAN CYTOCHROME P450 2B6 (Y226H/K262 COMPLEX WITH A MONOTERPENE - SABINENE HOMO SAPIENS P450 CYTOCHROME P450 2B6 MONOOXYGENASE MEMBRANE PROTEIN ENDOPLASMIC RETICULUM HEME IRON METAL BINDING MICROSOMEOXIDOREDUCTASE
Ref.: STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF HUMA CYTOCHROMES P450 2B6 AND 2A6 BOUND TO VOLATILE HYDR ANALYSIS AND COMPARISON. MOL.PHARMACOL. V. 87 649 2015
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
2 4ZV8 - TMH C10 H16 CC1=CC[C@@....
3 5UEC - 85D C10 H15 Br CC1([C@@H]....
4 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
5 5UAP - 82S C10 H17 Br C[C@@]12CC....
6 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
7 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
8 5UFG - 85D C10 H15 Br CC1([C@@H]....
9 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
10 5UDA - CAE C10 H18 CC1(C2CCC1....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
30 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
31 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
32 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
33 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
34 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
35 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
36 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
37 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
38 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
39 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
40 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
41 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
42 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 4XRZ ic50 = 0.37 uM SI6 C16 H16 F2 N4 O S c1cc(c(cc1....
30 4WNU - QDN C20 H24 N2 O2 COc1ccc2c(....
31 4WNV - QI9 C20 H24 N2 O2 COc1ccc2c(....
32 4XRY ic50 = 13.9 uM SI5 C17 H18 F2 N4 O S Cn1cc(cn1)....
33 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
34 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
35 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
36 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
37 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
38 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
39 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
40 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
41 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
42 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
43 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
44 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
45 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
46 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SNE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SNE 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: SNE; Similar ligands found: 560
No: Ligand Similarity coefficient
1 HYP 0.9562
2 HZP 0.9502
3 3V4 0.9490
4 THE 0.9420
5 R2B 0.9415
6 7WG 0.9407
7 XLS 0.9392
8 MRZ 0.9382
9 PCA 0.9377
10 PRO 0.9363
11 SRT 0.9360
12 VAH 0.9347
13 TFB 0.9340
14 R1X 0.9331
15 TAR 0.9327
16 MUC 0.9326
17 GLL 0.9322
18 AHB 0.9302
19 UGC 0.9278
20 TLA 0.9277
21 IQ0 0.9267
22 2AS 0.9260
23 IFM 0.9255
24 1AB 0.9249
25 7A8 0.9233
26 OAA 0.9227
27 IT2 0.9223
28 NIO 0.9222
29 AC5 0.9220
30 YCP 0.9216
31 MLT 0.9214
32 BEN 0.9211
33 CXF 0.9209
34 THR 0.9209
35 IMR 0.9208
36 34V 0.9206
37 HY1 0.9205
38 BEZ 0.9199
39 HIO 0.9198
40 COI 0.9192
41 14J 0.9190
42 AHR 0.9188
43 271 0.9187
44 6PC 0.9183
45 NCA 0.9178
46 BAM 0.9176
47 QY9 0.9173
48 XUL 0.9169
49 2XX 0.9164
50 CRN 0.9163
51 NTN 0.9163
52 KIV 0.9160
53 GAB 0.9159
54 OVV 0.9157
55 261 0.9155
56 NMG 0.9147
57 LMR 0.9144
58 FA1 0.9142
59 2PC 0.9142
60 3NT 0.9139
61 VAL 0.9136
62 UY7 0.9134
63 R9S 0.9132
64 EHM 0.9132
65 5FX 0.9132
66 3AB 0.9129
67 RUU 0.9128
68 OHG 0.9128
69 LNO 0.9127
70 RIB 0.9126
71 VGL 0.9124
72 8EZ 0.9124
73 QSC 0.9123
74 SIN 0.9123
75 XYL 0.9121
76 PBC 0.9117
77 IOM 0.9114
78 T2C 0.9113
79 HY3 0.9105
80 3HB 0.9104
81 HYA 0.9103
82 DAS 0.9102
83 NXA 0.9101
84 EDG 0.9101
85 PAC 0.9097
86 PZA 0.9097
87 FPI 0.9094
88 HBA 0.9094
89 UNU 0.9092
90 SPA 0.9090
91 53C 0.9086
92 2DR 0.9085
93 RNS 0.9085
94 LDU 0.9084
95 SS1 0.9081
96 RSO 0.9081
97 ASP 0.9079
98 SJ5 0.9078
99 SS2 0.9076
100 FEH 0.9073
101 APY 0.9070
102 ISD 0.9069
103 2LP 0.9068
104 NBZ 0.9068
105 QDK 0.9067
106 CNL 0.9065
107 273 0.9065
108 PHB 0.9061
109 JZ7 0.9058
110 QFH 0.9057
111 DPR 0.9054
112 5AC 0.9052
113 SYN 0.9051
114 RIP 0.9050
115 1P3 0.9049
116 PRS 0.9046
117 1LN 0.9046
118 ITN 0.9046
119 23B 0.9045
120 JBN 0.9043
121 JZ5 0.9041
122 GLN 0.9040
123 CMS 0.9036
124 ASC 0.9035
125 HDA 0.9033
126 IZC 0.9032
127 OXZ 0.9031
128 NMJ 0.9031
129 2TQ 0.9030
130 MEV 0.9028
131 51F 0.9023
132 TMH 0.9023
133 8GC 0.9022
134 4JL 0.9022
135 ILE 0.9021
136 M58 0.9021
137 1DV 0.9021
138 BP9 0.9021
139 PAF 0.9020
140 ASN 0.9019
141 NPO 0.9018
142 HSM 0.9017
143 CFI 0.9017
144 ICF 0.9009
145 SMV 0.9009
146 ROR 0.9008
147 PZI 0.9005
148 CIZ 0.9004
149 2AL 0.9003
150 KPL 0.8998
151 PEL 0.8998
152 PEA 0.8995
153 MAE 0.8994
154 RB5 0.8992
155 4CS 0.8991
156 4VP 0.8991
157 FLA 0.8989
158 3U4 0.8989
159 PYJ 0.8988
160 PBE 0.8987
161 192 0.8986
162 9X7 0.8985
163 BZX 0.8985
164 4NG 0.8982
165 OHP 0.8979
166 LEU 0.8979
167 282 0.8979
168 SAL 0.8978
169 ALO 0.8978
170 9YL 0.8978
171 BNS 0.8977
172 DHS 0.8973
173 1SA 0.8973
174 RBL 0.8973
175 MXN 0.8973
176 1Y6 0.8972
177 1DU 0.8969
178 GYE 0.8969
179 BE2 0.8969
180 7N0 0.8967
181 C2A 0.8967
182 3F0 0.8964
183 23W 0.8963
184 ICB 0.8963
185 SPV 0.8963
186 13P 0.8961
187 K6H 0.8960
188 ARW 0.8958
189 Z6J 0.8957
190 L3Q 0.8956
191 3M0 0.8952
192 AMC 0.8950
193 51R 0.8950
194 GIF 0.8949
195 GRO 0.8949
196 JZ4 0.8944
197 IDM 0.8944
198 IF7 0.8942
199 AGK 0.8941
200 RMN 0.8941
201 AZF 0.8939
202 SF9 0.8938
203 PRY 0.8938
204 DMV 0.8936
205 J9T 0.8935
206 HIS 0.8933
207 PGA 0.8932
208 3HA 0.8931
209 RNT 0.8930
210 CEE 0.8929
211 FAN 0.8927
212 1DQ 0.8926
213 K7M 0.8925
214 ABN 0.8924
215 RSF 0.8924
216 C2B 0.8923
217 FQI 0.8920
218 KDF 0.8919
219 BSX 0.8917
220 GLY ALA 0.8917
221 TZE 0.8916
222 GAG 0.8914
223 M6W 0.8913
224 FUB 0.8913
225 DBH 0.8913
226 2RH 0.8911
227 ISZ 0.8910
228 PPR 0.8908
229 DGL 0.8908
230 69O 0.8907
231 449 0.8907
232 LRH 0.8905
233 PMB 0.8905
234 F9P 0.8904
235 2FT 0.8902
236 HL5 0.8902
237 XM0 0.8902
238 PRI 0.8900
239 PEP 0.8900
240 DGJ 0.8899
241 HBX 0.8898
242 URF 0.8898
243 UYA 0.8897
244 40E 0.8894
245 3OC 0.8893
246 BDR 0.8892
247 3SK 0.8888
248 DTL 0.8886
249 BHO 0.8885
250 PY7 0.8882
251 HCS 0.8881
252 JKE 0.8880
253 NIZ 0.8880
254 TPA 0.8878
255 IXW 0.8877
256 RBJ 0.8876
257 FSG 0.8875
258 SYG 0.8875
259 FUF 0.8872
260 717 0.8872
261 I4B 0.8870
262 TZL 0.8870
263 ZBT 0.8870
264 1MR 0.8864
265 NBE 0.8863
266 OXQ 0.8861
267 URS 0.8860
268 GLU 0.8858
269 XCZ 0.8856
270 MNN 0.8856
271 M4T 0.8854
272 MAK 0.8851
273 IP0 0.8850
274 ES6 0.8847
275 FBA 0.8846
276 GTQ 0.8844
277 MRY 0.8842
278 PMF 0.8841
279 ARB 0.8840
280 AKG 0.8839
281 DFB 0.8839
282 N4B 0.8839
283 MZW 0.8838
284 4XR 0.8838
285 G3P 0.8836
286 B24 0.8835
287 GBD 0.8835
288 3PG 0.8834
289 TB6 0.8833
290 AL0 0.8832
291 PYC 0.8830
292 JYD 0.8830
293 NOJ 0.8830
294 2MH 0.8825
295 SC2 0.8819
296 H95 0.8818
297 AKB 0.8818
298 AC6 0.8816
299 0MK 0.8816
300 TEO 0.8816
301 98J 0.8816
302 BDF 0.8815
303 41K 0.8814
304 OMD 0.8814
305 HSE 0.8813
306 6M4 0.8812
307 MLA 0.8809
308 5XB 0.8809
309 MZ0 0.8808
310 MLI 0.8808
311 5RG 0.8806
312 ABE 0.8806
313 9CL 0.8805
314 PTO 0.8803
315 PRZ 0.8803
316 4SV 0.8803
317 GLC 0.8802
318 AI2 0.8800
319 DS0 0.8799
320 AMH 0.8799
321 DHB 0.8797
322 SMN 0.8797
323 4JU 0.8797
324 XBT 0.8797
325 DMJ 0.8796
326 MET 0.8796
327 URA 0.8795
328 RM1 0.8794
329 6LW 0.8793
330 R8A 0.8793
331 DTT 0.8793
332 03W 0.8792
333 FUL 0.8792
334 HBD 0.8791
335 069 0.8789
336 FRU 0.8787
337 4MV 0.8787
338 2CO 0.8787
339 DFU 0.8786
340 RHU 0.8785
341 SEP 0.8785
342 KOJ 0.8785
343 IHG 0.8781
344 PAH 0.8781
345 PPY 0.8780
346 R67 0.8779
347 4NC 0.8779
348 5CU 0.8779
349 SWA 0.8778
350 FB2 0.8778
351 RAT 0.8778
352 DPF 0.8778
353 1DJ 0.8777
354 24B 0.8777
355 SOL 0.8776
356 IFL 0.8776
357 JZ1 0.8774
358 1WD 0.8773
359 TSU 0.8770
360 URP 0.8770
361 NVA 0.8768
362 3QM 0.8766
363 5DI 0.8765
364 IDH 0.8765
365 AC0 0.8764
366 KMT 0.8763
367 3SL 0.8761
368 BVG 0.8759
369 2PG 0.8759
370 JZ3 0.8758
371 F81 0.8757
372 60P 0.8756
373 DOR 0.8756
374 9TZ 0.8756
375 ZZT 0.8756
376 DAB 0.8755
377 26D 0.8754
378 PAV 0.8754
379 BVC 0.8749
380 HVQ 0.8749
381 SOR 0.8749
382 54G 0.8748
383 OAF 0.8746
384 O7U 0.8743
385 BDP 0.8742
386 I1E 0.8742
387 AFR 0.8742
388 FX1 0.8741
389 5M0 0.8741
390 SR1 0.8740
391 CRS 0.8740
392 I2M 0.8737
393 OEM 0.8737
394 FBV 0.8734
395 LFC 0.8734
396 H3M 0.8733
397 HPY 0.8731
398 7WV 0.8730
399 MNM 0.8729
400 54D 0.8728
401 K5W 0.8728
402 4HP 0.8726
403 NVI 0.8726
404 HSO 0.8725
405 AEF 0.8725
406 G3H 0.8725
407 MAN 0.8724
408 8OZ 0.8724
409 BHH 0.8723
410 ZZ2 0.8720
411 9RW 0.8719
412 BMA 0.8719
413 FUM 0.8716
414 ZXD 0.8716
415 DBB 0.8716
416 SOE 0.8716
417 PAE 0.8712
418 YHO 0.8710
419 CP 0.8710
420 DOB 0.8709
421 FBJ 0.8709
422 SVJ 0.8707
423 JZ9 0.8707
424 286 0.8706
425 HDH 0.8705
426 DTU 0.8704
427 HGQ 0.8704
428 ECE 0.8700
429 LCN 0.8698
430 FUC 0.8695
431 XYS 0.8695
432 MTL 0.8694
433 TNE 0.8694
434 ORO 0.8692
435 4M0 0.8692
436 DYA 0.8691
437 3HP 0.8689
438 FUD 0.8688
439 NSP 0.8687
440 NK 0.8687
441 GOO 0.8686
442 PSJ 0.8686
443 1CO 0.8686
444 CAM 0.8683
445 BE7 0.8683
446 5HN 0.8682
447 284 0.8682
448 FAC 0.8682
449 RCO 0.8682
450 PEQ 0.8681
451 0V5 0.8681
452 3DM 0.8679
453 9SE 0.8678
454 9J3 0.8677
455 3HL 0.8677
456 VNJ 0.8677
457 YRL 0.8677
458 CIT 0.8676
459 3ZQ 0.8676
460 4FA 0.8675
461 ICC 0.8674
462 XYP 0.8671
463 FBW 0.8671
464 280 0.8671
465 3CH 0.8670
466 ASO 0.8670
467 H76 0.8668
468 3XX 0.8667
469 SER 0.8667
470 2EZ 0.8666
471 173 0.8665
472 HQ9 0.8663
473 2CL 0.8663
474 4PN 0.8663
475 FB1 0.8661
476 270 0.8659
477 IPB 0.8658
478 QIC 0.8658
479 GJZ 0.8654
480 45L 0.8652
481 BVF 0.8649
482 285 0.8649
483 AX7 0.8648
484 FBM 0.8647
485 3BU 0.8642
486 JAE 0.8642
487 A09 0.8641
488 B40 0.8639
489 PPV 0.8637
490 BHA 0.8635
491 DUC 0.8635
492 MLE 0.8633
493 5NU 0.8633
494 PYF 0.8632
495 HPS 0.8630
496 AS3 0.8629
497 DQA 0.8628
498 DSN 0.8628
499 T9G 0.8625
500 6AI 0.8624
501 GGL 0.8621
502 FA3 0.8621
503 SYC 0.8620
504 PCT 0.8618
505 GG6 0.8614
506 OTR 0.8613
507 GCS 0.8612
508 R9M 0.8610
509 DIE 0.8605
510 GAL 0.8605
511 AAE 0.8604
512 F60 0.8604
513 278 0.8601
514 5H1 0.8600
515 0CT 0.8599
516 TCM 0.8598
517 DXX 0.8597
518 DEN 0.8597
519 8K2 0.8597
520 2K4 0.8596
521 NCT 0.8595
522 SAT 0.8592
523 5MK 0.8591
524 14O 0.8590
525 7VD 0.8590
526 42J 0.8588
527 5MB 0.8588
528 SEJ 0.8587
529 BZI 0.8586
530 BZF 0.8585
531 2MI 0.8583
532 ZZ3 0.8583
533 7MU 0.8580
534 ACH 0.8577
535 GVH 0.8576
536 BGC 0.8574
537 P2D 0.8573
538 FLC 0.8572
539 LZ1 0.8568
540 TH0 0.8566
541 11S 0.8565
542 ES9 0.8564
543 WOT 0.8560
544 9TY 0.8558
545 IND 0.8558
546 3SY 0.8556
547 P92 0.8554
548 WCE 0.8553
549 B85 0.8552
550 MFU 0.8551
551 3C4 0.8548
552 4JP 0.8546
553 HQE 0.8543
554 5MI 0.8543
555 GBN 0.8537
556 GUA 0.8537
557 ABV 0.8536
558 MCT 0.8533
559 H62 0.8522
560 H4N 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RQL; Ligand: SNE; 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: 4rql.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RQL; Ligand: SNE; 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: 4rql.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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