Receptor
PDB id Resolution Class Description Source Keywords
1Z11 2.05 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH METHOXSALEN BOUND HOMO SAPIENS CYP2A6 P450 2A6 P450 MONOOXYGENASE DRUG METABOLIZING ENZYME COUMARIN 7-HYDROXYLASE NICOTINE OXIDASE OXIDOREDUCTASE HEME METHOXSALEN
Ref.: STRUCTURES OF HUMAN MICROSOMAL CYTOCHROME P450 2A6 COMPLEXED WITH COUMARIN AND METHOXSALEN NAT.STRUCT.MOL.BIOL. V. 12 822 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8MO A:501;
B:501;
C:501;
D:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 1.9 uM
216.19 C12 H8 O4 COc1c...
HEM A:500;
B:500;
C:500;
D:500;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FDW 2.05 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH THE INHIBITOR (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE BOUND HOMO SAPIENS CYP2A6 P450 2A6 P450 MONOOXYGENASE DRUG METABOLIZING ENZYME COUMARIN 7-HYDROXYLASE NICOTINE OXIDASE OXIDOREDUCTASE
Ref.: SYNTHETIC INHIBITORS OF CYTOCHROME P-450 2A6: INHIBITORY ACTIVITY, DIFFERENCE SPECTRA, MECHANISM OF INHIBITION, AND PROTEIN COCRYSTALLIZATION. J.MED.CHEM. V. 49 6987 2006
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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....
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: 8MO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8MO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 8MO; Similar ligands found: 548
No: Ligand Similarity coefficient
1 AA 0.9721
2 ANF 0.9693
3 THA 0.9646
4 DNA 0.9637
5 H5B 0.9593
6 3J8 0.9538
7 B56 0.9497
8 E1K 0.9488
9 2FQ 0.9484
10 537 0.9482
11 PH2 0.9474
12 HHR 0.9431
13 LDR 0.9419
14 QX4 0.9413
15 N0Z 0.9411
16 1HN 0.9408
17 GJP 0.9399
18 9AP 0.9398
19 KYA 0.9397
20 DQU 0.9386
21 6ME 0.9384
22 4KL 0.9370
23 DRG 0.9369
24 FDR 0.9368
25 PEY 0.9361
26 4RU 0.9354
27 BNX 0.9340
28 44W 0.9338
29 XHP 0.9329
30 OTW 0.9328
31 27B 0.9327
32 BA5 0.9324
33 ST1 0.9317
34 44V 0.9304
35 2KA 0.9303
36 TIY 0.9300
37 MVN 0.9295
38 DPT 0.9267
39 HHS 0.9265
40 LOG 0.9260
41 B62 0.9258
42 PRF 0.9255
43 5VJ 0.9235
44 2K8 0.9220
45 0FO 0.9216
46 AN3 0.9212
47 X8D 0.9206
48 68A 0.9205
49 CLZ 0.9203
50 6FB 0.9202
51 EAE 0.9199
52 NGA 0.9198
53 PJW 0.9197
54 344 0.9196
55 6BL 0.9196
56 CKA 0.9194
57 DX3 0.9187
58 VUP 0.9182
59 30G 0.9180
60 Q77 0.9177
61 ZYR 0.9176
62 AP4 0.9176
63 Z21 0.9175
64 QQQ 0.9169
65 HQD 0.9168
66 RH1 0.9160
67 RXA 0.9157
68 9FL 0.9156
69 582 0.9154
70 LZ2 0.9153
71 4AN 0.9147
72 0N7 0.9145
73 5NS 0.9142
74 9TF 0.9133
75 CH9 0.9132
76 GNM 0.9130
77 PQ0 0.9130
78 NID 0.9127
79 0JD 0.9127
80 Q71 0.9123
81 UFO 0.9116
82 6QF 0.9115
83 VK3 0.9113
84 3E2 0.9112
85 2JK 0.9111
86 8XL 0.9110
87 NQ 0.9106
88 1IT 0.9106
89 SNG 0.9104
90 OQC 0.9103
91 CK2 0.9101
92 Z5P 0.9101
93 5VL 0.9101
94 MD6 0.9100
95 FQX 0.9098
96 BZJ 0.9096
97 KMY 0.9096
98 NAG 0.9096
99 15N 0.9091
100 PK3 0.9090
101 9R5 0.9089
102 0FR 0.9087
103 9UL 0.9086
104 20J 0.9082
105 JU2 0.9082
106 X0U 0.9082
107 TWO 0.9079
108 MOK 0.9076
109 B5D 0.9076
110 E1T 0.9074
111 8HC 0.9073
112 BGU 0.9072
113 9CA 0.9071
114 12T 0.9070
115 ROI 0.9068
116 2GQ 0.9068
117 LFN 0.9067
118 S60 0.9066
119 9KT 0.9063
120 LI6 0.9063
121 C2Y 0.9057
122 ANC 0.9057
123 54X 0.9054
124 MAG 0.9049
125 92P 0.9047
126 5V7 0.9047
127 2MQ 0.9046
128 0FK 0.9042
129 HRM 0.9041
130 AZ9 0.9040
131 GO1 0.9039
132 GI3 0.9034
133 6E8 0.9034
134 2LY 0.9033
135 3QV 0.9033
136 X11 0.9028
137 0XT 0.9023
138 TOF 0.9016
139 ZO9 0.9016
140 GDL 0.9014
141 MNS 0.9001
142 TT4 0.9001
143 BPU 0.8996
144 BIO 0.8996
145 EMO 0.8995
146 DK1 0.8994
147 4TU 0.8992
148 JG8 0.8989
149 BPY 0.8989
150 5TY 0.8989
151 AQO 0.8987
152 3R4 0.8986
153 49O 0.8986
154 IQZ 0.8985
155 5RO 0.8983
156 BEA 0.8982
157 AJ2 0.8981
158 NDG 0.8980
159 4I8 0.8980
160 INE 0.8979
161 6VD 0.8976
162 R6T 0.8975
163 M1Q 0.8973
164 7B3 0.8967
165 I6G 0.8965
166 PYQ 0.8965
167 2F8 0.8963
168 HBI 0.8961
169 96U 0.8960
170 3GQ 0.8959
171 3VX 0.8955
172 1QP 0.8952
173 209 0.8951
174 28N 0.8951
175 M5K 0.8949
176 QBK 0.8947
177 BQ2 0.8945
178 L46 0.8943
179 2AK 0.8942
180 ODO 0.8942
181 V1T 0.8941
182 CHQ 0.8939
183 6NI 0.8939
184 1F1 0.8939
185 ZSP 0.8937
186 1KP 0.8936
187 J9W 0.8936
188 N8Y 0.8935
189 39O 0.8935
190 4HC 0.8934
191 PRL 0.8934
192 N91 0.8933
193 37T 0.8933
194 0HO 0.8931
195 1A7 0.8930
196 5NI 0.8928
197 9KZ 0.8928
198 MEW 0.8927
199 2HU 0.8926
200 JAW 0.8926
201 TTY 0.8925
202 J9Q 0.8925
203 1VK 0.8925
204 QPR 0.8924
205 9ZE 0.8923
206 363 0.8923
207 6KT 0.8922
208 H33 0.8921
209 XQK 0.8920
210 Q24 0.8919
211 97T 0.8919
212 K97 0.8919
213 JTA 0.8916
214 3A9 0.8915
215 M5H 0.8912
216 6NT 0.8912
217 XM5 0.8911
218 ABI 0.8910
219 K44 0.8910
220 MS9 0.8910
221 H4B 0.8909
222 1ZC 0.8907
223 HNT 0.8907
224 A2G 0.8906
225 JB8 0.8904
226 JY4 0.8903
227 TXW 0.8902
228 Z73 0.8901
229 DNC 0.8901
230 PX7 0.8901
231 2ZM 0.8900
232 ESI 0.8900
233 96R 0.8899
234 HBO 0.8899
235 JDN 0.8898
236 7ZE 0.8898
237 M6N 0.8897
238 8WO 0.8897
239 SLS 0.8895
240 0HN 0.8894
241 GNV 0.8889
242 8NX 0.8888
243 MAQ 0.8884
244 4JQ 0.8884
245 0FN 0.8882
246 1DR 0.8881
247 HA5 0.8879
248 G12 0.8878
249 4V6 0.8876
250 MUA 0.8875
251 IBM 0.8874
252 15E 0.8873
253 WSD 0.8872
254 NRA 0.8872
255 AZ8 0.8871
256 0GZ 0.8871
257 JR2 0.8871
258 CFF 0.8870
259 PE0 0.8870
260 5WY 0.8867
261 MUR 0.8867
262 7ME 0.8865
263 5GV 0.8864
264 S8A 0.8864
265 AJV 0.8864
266 4BL 0.8864
267 GF4 0.8862
268 0F9 0.8861
269 GO2 0.8860
270 AJY 0.8859
271 URC 0.8856
272 COL 0.8855
273 4MU 0.8855
274 UAN 0.8852
275 680 0.8851
276 II4 0.8851
277 M4E 0.8851
278 C9E 0.8849
279 KIB 0.8849
280 MQN 0.8847
281 GHM 0.8847
282 MXX 0.8846
283 MT8 0.8846
284 3Y7 0.8845
285 3ZB 0.8845
286 FDB 0.8842
287 0P6 0.8840
288 GI1 0.8839
289 4YO 0.8839
290 TXQ 0.8835
291 TGX 0.8833
292 FLV 0.8833
293 LL1 0.8832
294 I4D 0.8831
295 5NE 0.8830
296 XAZ 0.8830
297 0TU 0.8828
298 878 0.8826
299 APZ 0.8825
300 K7H 0.8821
301 226 0.8821
302 8XQ 0.8818
303 4BY 0.8815
304 CX6 0.8813
305 3NY 0.8812
306 B60 0.8811
307 F4E 0.8811
308 HLD 0.8810
309 EN1 0.8809
310 S0E 0.8809
311 ITE 0.8807
312 ZVO 0.8807
313 F6P 0.8807
314 ICO 0.8805
315 64C 0.8804
316 BHQ 0.8801
317 5RN 0.8799
318 M2K 0.8798
319 67X 0.8795
320 KJ5 0.8787
321 8CM 0.8787
322 LP8 0.8786
323 ONR 0.8786
324 BIK 0.8785
325 94W 0.8785
326 18N 0.8783
327 JBZ 0.8782
328 8W9 0.8781
329 6X9 0.8780
330 9FE 0.8780
331 DPZ 0.8780
332 K3Q 0.8779
333 8ZE 0.8778
334 4ME 0.8778
335 K68 0.8778
336 UNJ 0.8776
337 EA1 0.8773
338 RB2 0.8772
339 ESX 0.8772
340 OTA 0.8771
341 2O6 0.8770
342 KW8 0.8769
343 OPA 0.8769
344 7MX 0.8768
345 THM 0.8767
346 WS7 0.8766
347 549 0.8764
348 21D 0.8761
349 MPK 0.8761
350 12Q 0.8760
351 PRZ 0.8759
352 9X5 0.8758
353 A29 0.8757
354 TTL 0.8757
355 KTW 0.8756
356 5QY 0.8756
357 MM2 0.8756
358 F2W 0.8752
359 7W1 0.8752
360 N2I 0.8748
361 428 0.8747
362 PMP 0.8746
363 SKF 0.8745
364 K32 0.8745
365 XFE 0.8745
366 5GT 0.8745
367 2J1 0.8743
368 JCZ 0.8741
369 DRL 0.8740
370 61M 0.8739
371 DDU 0.8736
372 A1Y 0.8736
373 KLK 0.8735
374 K25 0.8730
375 2HC 0.8728
376 TNF 0.8728
377 MAJ 0.8727
378 5QX 0.8727
379 JP2 0.8726
380 BDP 0.8725
381 8DA 0.8723
382 IV2 0.8723
383 QIV 0.8722
384 PLP 0.8721
385 3PF 0.8720
386 PHH 0.8720
387 MNY 0.8720
388 KGK 0.8719
389 86J 0.8713
390 Q7A 0.8712
391 BZ2 0.8712
392 GTC 0.8711
393 QMS 0.8711
394 KUF 0.8710
395 REF 0.8709
396 IQ5 0.8709
397 4NB 0.8708
398 HKD 0.8705
399 7WR 0.8704
400 8TX 0.8703
401 VNL 0.8701
402 MSR 0.8701
403 AY4 0.8700
404 LZB 0.8700
405 RHN 0.8699
406 CNI 0.8697
407 4Z4 0.8695
408 3Z8 0.8695
409 X48 0.8694
410 JTH 0.8691
411 52C 0.8691
412 TEP 0.8691
413 OA3 0.8691
414 GIM 0.8690
415 S98 0.8689
416 MHK 0.8688
417 W81 0.8687
418 ARP 0.8685
419 K37 0.8684
420 LQ2 0.8683
421 PDC 0.8683
422 CWS 0.8682
423 SG2 0.8681
424 22L 0.8680
425 L07 0.8680
426 ESP 0.8680
427 372 0.8678
428 3VS 0.8677
429 PD2 0.8676
430 WS6 0.8676
431 JF2 0.8676
432 BGC 0.8676
433 J01 0.8675
434 IAC 0.8674
435 GZL 0.8673
436 DXK 0.8673
437 ICB 0.8673
438 VXX 0.8672
439 2WU 0.8667
440 D48 0.8666
441 KDV 0.8665
442 9OF 0.8664
443 J5I 0.8664
444 NTZ 0.8663
445 6HO 0.8663
446 OCZ 0.8662
447 DUR 0.8662
448 DNF 0.8659
449 XCG 0.8659
450 AMR 0.8658
451 B57 0.8657
452 4NO 0.8656
453 5XL 0.8656
454 M6Z 0.8654
455 G3E 0.8648
456 LUM 0.8646
457 OAI 0.8646
458 MM1 0.8644
459 GDE 0.8641
460 P83 0.8641
461 2HQ 0.8641
462 61O 0.8641
463 DX7 0.8640
464 SKA 0.8639
465 9CE 0.8637
466 39Z 0.8635
467 VM1 0.8634
468 EUE 0.8633
469 L7T 0.8633
470 J6W 0.8631
471 NDD 0.8629
472 KJY 0.8627
473 SNU 0.8627
474 SYR 0.8627
475 APS 0.8626
476 TMG 0.8625
477 EGR 0.8624
478 SNO 0.8621
479 P9E 0.8621
480 ZEC 0.8621
481 F5C 0.8620
482 2F6 0.8619
483 54Z 0.8617
484 TCR 0.8617
485 MVL 0.8616
486 3AE 0.8615
487 06B 0.8614
488 4AA 0.8613
489 NLA 0.8613
490 AEZ 0.8611
491 KP2 0.8610
492 ZME 0.8607
493 K82 0.8606
494 IOS 0.8606
495 OSB 0.8605
496 2PV 0.8605
497 2PK 0.8604
498 TQU 0.8600
499 E7S 0.8600
500 M3F 0.8599
501 AC2 0.8598
502 64E 0.8598
503 SE2 0.8595
504 8WT 0.8595
505 5AD 0.8594
506 ST4 0.8594
507 2AN 0.8592
508 NDM 0.8592
509 49N 0.8591
510 H70 0.8589
511 I2E 0.8585
512 EXD 0.8584
513 EV2 0.8582
514 CCV 0.8579
515 Y0V 0.8579
516 9LI 0.8579
517 Y3L 0.8578
518 6FZ 0.8576
519 PPY 0.8574
520 F69 0.8574
521 BP7 0.8574
522 QAS 0.8573
523 DOB 0.8573
524 GO0 0.8570
525 K17 0.8569
526 TRP 0.8568
527 CTS 0.8568
528 G1P 0.8567
529 IWT 0.8565
530 9H2 0.8564
531 EY2 0.8561
532 4VS 0.8560
533 36E 0.8560
534 RNO 0.8555
535 CTL 0.8555
536 MFZ 0.8553
537 7VS 0.8549
538 PXL 0.8545
539 KY3 0.8545
540 FA0 0.8543
541 535 0.8537
542 0BP 0.8534
543 X0T 0.8533
544 1Z6 0.8531
545 LIP 0.8521
546 FOT 0.8520
547 EVF 0.8519
548 HX4 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FDW; Ligand: D3G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2fdw.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2FDW; Ligand: D3G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2fdw.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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