Receptor
PDB id Resolution Class Description Source Keywords
4RRT 2.2 Å EC: 1.14.13.- CRYSTAL STRUCTURE OF A HUMAN CYTOCHROME P450 2B6 (Y226H/K262 COMPLEX WITH (+)-3-CARENE 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
GOL A:506;
A:507;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
CM5 B:505;
A:504;
A:505;
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 A:501;
B:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
3V4 A:502;
B:502;
 Valid;
Valid;
 none;
none;
 Kd = 1.82 uM
136.234 C10 H16 CC1=C...
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: 3V4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3V4 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3V4; Similar ligands found: 603
No: Ligand Similarity coefficient
1 HYP 0.9543
2 HZP 0.9501
3 SNE 0.9490
4 TAR 0.9386
5 YCP 0.9366
6 IFM 0.9344
7 7A8 0.9334
8 MLT 0.9334
9 OAA 0.9328
10 HBA 0.9312
11 ITN 0.9289
12 DHS 0.9282
13 8EZ 0.9282
14 LDU 0.9276
15 SRT 0.9256
16 AMH 0.9229
17 R67 0.9225
18 BP9 0.9212
19 PRO 0.9208
20 34V 0.9200
21 4VP 0.9200
22 PGA 0.9196
23 AC5 0.9194
24 SIN 0.9193
25 1AB 0.9184
26 3SL 0.9176
27 COI 0.9174
28 ACH 0.9171
29 FYU 0.9157
30 IOM 0.9155
31 R9S 0.9150
32 HIO 0.9142
33 PZI 0.9141
34 MUC 0.9135
35 LMR 0.9132
36 GLU 0.9119
37 4JL 0.9116
38 SJ5 0.9115
39 0MK 0.9111
40 OXZ 0.9111
41 PEP 0.9110
42 SPV 0.9109
43 QY9 0.9108
44 HDA 0.9107
45 4CH 0.9106
46 URQ 0.9105
47 6PC 0.9098
48 FPI 0.9096
49 AZF 0.9090
50 3OC 0.9087
51 ARW 0.9086
52 8H8 0.9086
53 FOC 0.9085
54 24B 0.9085
55 T2C 0.9084
56 SOE 0.9083
57 EHM 0.9083
58 2MH 0.9081
59 4JU 0.9081
60 R2B 0.9078
61 ASP 0.9074
62 CMS 0.9073
63 DFB 0.9072
64 F9P 0.9070
65 2CO 0.9070
66 NXA 0.9068
67 TFB 0.9067
68 ICB 0.9066
69 PPR 0.9065
70 APY 0.9063
71 PAE 0.9062
72 MNM 0.9060
73 DMJ 0.9056
74 GLL 0.9056
75 LEU 0.9055
76 7WG 0.9050
77 CRN 0.9049
78 EDG 0.9046
79 SYN 0.9045
80 ASN 0.9045
81 5FX 0.9043
82 FUM 0.9042
83 XUL 0.9041
84 WBU 0.9040
85 4XR 0.9039
86 BML 0.9035
87 261 0.9035
88 98J 0.9031
89 1DV 0.9029
90 FA1 0.9027
91 2LP 0.9027
92 MRZ 0.9025
93 CXF 0.9024
94 HY1 0.9023
95 DAS 0.9023
96 HCS 0.9022
97 PCA 0.9021
98 TB6 0.9021
99 DGJ 0.9020
100 BZX 0.9019
101 ZZT 0.9019
102 JZ7 0.9017
103 URF 0.9016
104 3DM 0.9015
105 ILE 0.9015
106 FPY 0.9014
107 HYA 0.9011
108 RBL 0.9010
109 ABE 0.9010
110 FBA 0.9007
111 NPO 0.9007
112 BDF 0.9004
113 TMH 0.9003
114 TLA 0.9002
115 2FT 0.9001
116 5DI 0.9000
117 FP1 0.8997
118 RB5 0.8997
119 XYL 0.8997
120 GAL 0.8994
121 1LN 0.8992
122 MZW 0.8991
123 R1X 0.8990
124 AGK 0.8988
125 NMG 0.8987
126 273 0.8987
127 XM0 0.8985
128 7N0 0.8985
129 C2B 0.8984
130 HMU 0.8983
131 PHB 0.8980
132 HMH 0.8977
133 HBX 0.8976
134 271 0.8976
135 MAE 0.8973
136 FSG 0.8972
137 SEJ 0.8971
138 C2A 0.8970
139 5AC 0.8970
140 PAB 0.8969
141 NSP 0.8967
142 RUU 0.8965
143 PAF 0.8965
144 2XX 0.8964
145 FLA 0.8963
146 AFR 0.8962
147 ROR 0.8962
148 UY7 0.8962
149 DFU 0.8961
150 ISD 0.8960
151 RIP 0.8959
152 HY3 0.8956
153 GIF 0.8955
154 IMR 0.8954
155 DMV 0.8953
156 OHG 0.8948
157 1MR 0.8947
158 AHB 0.8946
159 N8P 0.8946
160 MAN 0.8943
161 TH7 0.8941
162 23W 0.8939
163 2PC 0.8938
164 4CS 0.8937
165 K6H 0.8937
166 KDF 0.8936
167 AHR 0.8936
168 XLS 0.8935
169 G3P 0.8935
170 ICF 0.8934
171 FUL 0.8932
172 CP 0.8932
173 VAH 0.8931
174 XAN 0.8930
175 IQ0 0.8929
176 F81 0.8929
177 PTO 0.8927
178 282 0.8925
179 SS2 0.8923
180 FUD 0.8923
181 RSO 0.8923
182 449 0.8921
183 FUB 0.8921
184 RNS 0.8920
185 192 0.8920
186 IP0 0.8920
187 64K 0.8918
188 THR 0.8918
189 PRS 0.8918
190 PAH 0.8916
191 HPY 0.8916
192 6LW 0.8914
193 TDR 0.8913
194 AMC 0.8913
195 DPR 0.8913
196 4MV 0.8912
197 AKG 0.8912
198 Z82 0.8911
199 KOJ 0.8911
200 1MC 0.8911
201 ASC 0.8910
202 PZM 0.8909
203 GLN 0.8909
204 RBJ 0.8908
205 NCA 0.8908
206 PYJ 0.8906
207 JZ1 0.8905
208 IF7 0.8905
209 XYP 0.8904
210 SVJ 0.8903
211 JZ3 0.8903
212 5CU 0.8902
213 IDM 0.8902
214 0R0 0.8900
215 ABN 0.8900
216 H8N 0.8900
217 4JM 0.8900
218 XYS 0.8899
219 TZE 0.8898
220 NIO 0.8898
221 2AL 0.8897
222 LRH 0.8896
223 IPB 0.8894
224 M6W 0.8894
225 9RW 0.8894
226 PRZ 0.8893
227 XRG 0.8893
228 FRU 0.8893
229 P72 0.8891
230 DOB 0.8890
231 IFL 0.8889
232 2AS 0.8889
233 URA 0.8885
234 TEO 0.8885
235 SEP 0.8884
236 THE 0.8884
237 LXC 0.8883
238 YRL 0.8883
239 BEN 0.8882
240 PXY 0.8880
241 LG4 0.8880
242 O7U 0.8880
243 DS0 0.8878
244 HQE 0.8878
245 SPA 0.8876
246 TNE 0.8874
247 FX1 0.8872
248 PCR 0.8870
249 RIB 0.8868
250 UGC 0.8868
251 NBZ 0.8868
252 PLQ 0.8867
253 AC6 0.8867
254 14O 0.8866
255 FPN 0.8866
256 0V5 0.8865
257 MRY 0.8864
258 GLC 0.8861
259 ARB 0.8860
260 6AI 0.8859
261 BNS 0.8859
262 1P8 0.8858
263 3NT 0.8857
264 1DQ 0.8856
265 BDR 0.8856
266 11S 0.8855
267 BEZ 0.8855
268 F60 0.8852
269 MYQ 0.8852
270 ET2 0.8851
271 2K4 0.8851
272 3SK 0.8850
273 DA1 0.8850
274 NBE 0.8850
275 FUC 0.8849
276 5MI 0.8847
277 PBE 0.8845
278 ES9 0.8842
279 BE2 0.8842
280 5H1 0.8841
281 ES2 0.8841
282 I4B 0.8840
283 URP 0.8840
284 VAL 0.8839
285 ICP 0.8838
286 BAM 0.8838
287 FUF 0.8837
288 4FA 0.8834
289 6M4 0.8834
290 BZ3 0.8834
291 NK 0.8832
292 PY7 0.8832
293 ICC 0.8831
294 284 0.8831
295 IDH 0.8830
296 270 0.8830
297 25R 0.8830
298 BSX 0.8827
299 5UC 0.8827
300 PBZ 0.8826
301 3U4 0.8825
302 9X7 0.8824
303 717 0.8823
304 PYD 0.8823
305 ARA 0.8823
306 R8A 0.8822
307 13P 0.8820
308 3HA 0.8820
309 KIV 0.8819
310 PMB 0.8818
311 40E 0.8817
312 UYA 0.8817
313 5MB 0.8816
314 3BU 0.8814
315 B24 0.8814
316 VGD 0.8813
317 JZ9 0.8813
318 4HS 0.8812
319 ECE 0.8812
320 PZA 0.8810
321 CIZ 0.8809
322 IT9 0.8808
323 51F 0.8808
324 NOJ 0.8808
325 5VM 0.8807
326 JZ4 0.8807
327 TH0 0.8806
328 41K 0.8806
329 SAL 0.8806
330 RSF 0.8806
331 AX7 0.8805
332 FCA 0.8804
333 JAE 0.8802
334 5OB 0.8801
335 JZ2 0.8800
336 36R 0.8800
337 4JN 0.8800
338 2MI 0.8800
339 H4N 0.8798
340 SS1 0.8798
341 PRY 0.8797
342 8NY 0.8797
343 HH5 0.8797
344 RHU 0.8796
345 5NU 0.8796
346 T9G 0.8795
347 GG6 0.8795
348 4M0 0.8794
349 Z6J 0.8794
350 ASO 0.8793
351 RMN 0.8793
352 4MA 0.8793
353 9DG 0.8792
354 LCN 0.8792
355 PAC 0.8791
356 1PT 0.8791
357 4NG 0.8789
358 MCT 0.8788
359 DGL 0.8788
360 DTU 0.8787
361 AEF 0.8786
362 R8S 0.8785
363 URC 0.8783
364 CRS 0.8781
365 IUR 0.8781
366 OEM 0.8781
367 4PW 0.8780
368 HBD 0.8780
369 4HO 0.8780
370 5MH 0.8780
371 FQI 0.8779
372 GLA 0.8778
373 34A 0.8777
374 FK1 0.8777
375 PAV 0.8776
376 DBH 0.8776
377 1Y6 0.8775
378 XYD 0.8774
379 MLA 0.8772
380 ALO 0.8771
381 PSJ 0.8771
382 H3M 0.8769
383 23A 0.8769
384 P92 0.8769
385 BGC 0.8767
386 FCR 0.8766
387 4ZE 0.8765
388 XIY 0.8764
389 2A9 0.8764
390 SAT 0.8763
391 KPL 0.8762
392 2AC 0.8762
393 GUN 0.8762
394 XBZ 0.8760
395 3M0 0.8760
396 JYD 0.8759
397 3DY 0.8759
398 5XB 0.8758
399 3PG 0.8758
400 4SV 0.8757
401 QSC 0.8757
402 6JN 0.8757
403 PEA 0.8757
404 HX3 0.8757
405 CLW 0.8755
406 ES6 0.8755
407 4CL 0.8754
408 MR1 0.8754
409 3XX 0.8754
410 3F0 0.8752
411 X6X 0.8752
412 4JJ 0.8751
413 G2F 0.8750
414 TSU 0.8748
415 FA0 0.8748
416 43M 0.8748
417 LNO 0.8748
418 A1U 0.8748
419 OMD 0.8745
420 9CL 0.8744
421 AOS 0.8743
422 PEL 0.8743
423 IZC 0.8743
424 MLI 0.8742
425 CIT 0.8741
426 27Y 0.8740
427 4HP 0.8738
428 HSM 0.8737
429 4JO 0.8733
430 SWA 0.8732
431 B53 0.8732
432 SW7 0.8731
433 3HB 0.8731
434 IOL 0.8730
435 VNJ 0.8728
436 DIG 0.8727
437 BHA 0.8727
438 23B 0.8727
439 BDP 0.8727
440 OAF 0.8726
441 PYG 0.8724
442 ISZ 0.8721
443 MET 0.8721
444 CAM 0.8720
445 2CL 0.8717
446 2MP 0.8716
447 SYG 0.8716
448 BR9 0.8715
449 BAE 0.8715
450 UNU 0.8714
451 FEH 0.8713
452 GAF 0.8713
453 DEN 0.8713
454 SF9 0.8713
455 M4T 0.8711
456 285 0.8710
457 60P 0.8709
458 MWJ 0.8709
459 CEE 0.8709
460 MWM 0.8707
461 L3Q 0.8706
462 AKB 0.8706
463 YHO 0.8705
464 HSE 0.8702
465 8EW 0.8701
466 FBB 0.8701
467 1M2 0.8700
468 DTL 0.8699
469 OGA 0.8698
470 PBC 0.8697
471 QIC 0.8697
472 CGB 0.8696
473 RCO 0.8695
474 NOY 0.8692
475 286 0.8692
476 B0D 0.8691
477 ABV 0.8690
478 4NC 0.8690
479 XX2 0.8689
480 DHB 0.8689
481 ZXD 0.8688
482 1DJ 0.8688
483 8OZ 0.8687
484 53C 0.8687
485 BZI 0.8684
486 MFU 0.8684
487 51R 0.8683
488 RP7 0.8682
489 LZ1 0.8681
490 MZG 0.8680
491 G3H 0.8679
492 GRO 0.8678
493 FBV 0.8678
494 IHG 0.8677
495 PCT 0.8676
496 HT4 0.8675
497 GAG 0.8674
498 TM7 0.8673
499 NIZ 0.8673
500 GOO 0.8672
501 TYL 0.8671
502 PRI 0.8671
503 0CT 0.8670
504 149 0.8670
505 1WD 0.8669
506 0R1 0.8669
507 MPI 0.8668
508 K2T 0.8666
509 IND 0.8665
510 GBD 0.8664
511 5XC 0.8664
512 BZF 0.8662
513 2YU 0.8660
514 SAN 0.8659
515 TCM 0.8658
516 LFR 0.8653
517 WOT 0.8650
518 2CK 0.8649
519 OK7 0.8647
520 PKU 0.8647
521 9SE 0.8646
522 M58 0.8645
523 NVA 0.8644
524 JKE 0.8643
525 GVH 0.8642
526 9X6 0.8642
527 HAI 0.8641
528 82I 0.8641
529 CN0 0.8639
530 FA3 0.8637
531 5JC 0.8636
532 BHO 0.8634
533 CYS 0.8634
534 ZBT 0.8633
535 4JP 0.8633
536 TLD 0.8633
537 H42 0.8632
538 PMF 0.8631
539 1P3 0.8631
540 9YL 0.8630
541 P3K 0.8627
542 280 0.8625
543 2FG 0.8624
544 HHA 0.8624
545 HDH 0.8621
546 YIO 0.8618
547 FAC 0.8617
548 FCB 0.8614
549 EKZ 0.8614
550 SN4 0.8614
551 AEG 0.8612
552 KDG 0.8611
553 RM4 0.8610
554 4P0 0.8607
555 2H5 0.8606
556 AAS 0.8606
557 CXL 0.8605
558 GLY GLY 0.8605
559 PYF 0.8604
560 A2F 0.8601
561 CFI 0.8598
562 GXL 0.8598
563 4VY 0.8598
564 OXQ 0.8596
565 MTL 0.8595
566 173 0.8593
567 4JT 0.8593
568 DAL DAL 0.8591
569 BTY 0.8590
570 PEQ 0.8589
571 RAM 0.8588
572 DOR 0.8585
573 G4D 0.8583
574 25T 0.8583
575 MXN 0.8581
576 67N 0.8580
577 F9Y 0.8580
578 1GN 0.8580
579 AZA 0.8578
580 ODO 0.8578
581 32O 0.8575
582 1DH 0.8571
583 PHU 0.8571
584 M1A 0.8570
585 826 0.8570
586 174 0.8570
587 CYH 0.8569
588 ES0 0.8560
589 AZG 0.8560
590 6AP 0.8559
591 YH7 0.8558
592 SF6 0.8555
593 0CU 0.8553
594 Y8I 0.8550
595 MPD 0.8549
596 HVQ 0.8548
597 1XM 0.8540
598 DX4 0.8533
599 DCL 0.8525
600 TMZ 0.8521
601 2PN 0.8520
602 COU 0.8520
603 5JQ 0.8520
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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