Receptor
PDB id Resolution Class Description Source Keywords
2fdu 1.85 Å EC: 1.14.14.1 MICROSOMAL P450 2A6 WITH THE INHIBITOR N,N-DIMETHYL(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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D1G A:501;
B:501;
C:501;
D:501;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ki = 14200 nM
202.252 C12 H14 N2 O CN(C)...
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...
SO4 A:2502;
A:2503;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
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: D1G; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 D1G 1 1
2 D3G 0.625 0.657895
3 D2G 0.596154 0.810811
Similar Ligands (3D)
Ligand no: 1; Ligand: D1G; Similar ligands found: 528
No: Ligand Similarity coefficient
1 3C5 0.9539
2 60L 0.9478
3 5F8 0.9460
4 0NX 0.9460
5 AVA 0.9395
6 5FL 0.9394
7 ZZA 0.9394
8 X6W 0.9362
9 NK5 0.9358
10 VM1 0.9357
11 G14 0.9338
12 P7V 0.9337
13 5F5 0.9330
14 1ER 0.9327
15 795 0.9310
16 YE6 0.9298
17 UN3 0.9297
18 7O4 0.9288
19 6MW 0.9261
20 PUE 0.9258
21 0LO 0.9251
22 D25 0.9247
23 V2Z 0.9246
24 7KE 0.9245
25 ODK 0.9243
26 LEL 0.9243
27 36M 0.9243
28 657 0.9237
29 3VQ 0.9235
30 EWG 0.9229
31 F63 0.9229
32 AJ1 0.9227
33 0UL 0.9225
34 TCR 0.9221
35 FCD 0.9214
36 BSA 0.9210
37 EV2 0.9210
38 49P 0.9209
39 MMJ 0.9208
40 MS0 0.9202
41 LNN 0.9200
42 LL1 0.9197
43 27K 0.9193
44 1HR 0.9184
45 A7Q 0.9180
46 TI7 0.9177
47 4FF 0.9174
48 U7E 0.9173
49 AUV 0.9173
50 3GV 0.9172
51 Q4G 0.9170
52 JSX 0.9168
53 5TZ 0.9165
54 FCW 0.9165
55 KLE 0.9163
56 6FG 0.9163
57 78Y 0.9159
58 JMG 0.9155
59 XI7 0.9152
60 GHQ 0.9150
61 BVS 0.9149
62 A98 0.9148
63 RA7 0.9140
64 IQ5 0.9139
65 RKV 0.9136
66 0K7 0.9133
67 X6P 0.9132
68 8CC 0.9132
69 L1T 0.9131
70 EYJ 0.9126
71 5C1 0.9125
72 KWV 0.9123
73 2LW 0.9121
74 S1D 0.9120
75 D26 0.9116
76 9UL 0.9116
77 L5D 0.9116
78 SOJ 0.9115
79 6C8 0.9112
80 N4E 0.9112
81 AZM 0.9111
82 K48 0.9105
83 2D2 0.9103
84 WVV 0.9102
85 EEK 0.9099
86 S46 0.9098
87 B1J 0.9095
88 HHB 0.9092
89 DBE 0.9090
90 D8Q 0.9089
91 SYE 0.9087
92 5WK 0.9086
93 VBC 0.9081
94 A5H 0.9081
95 M4N 0.9078
96 N9M 0.9071
97 NPX 0.9069
98 VFM 0.9067
99 JF5 0.9065
100 IQQ 0.9063
101 A9B 0.9062
102 5H6 0.9059
103 BZM 0.9056
104 JVD 0.9051
105 HKK 0.9050
106 P93 0.9047
107 MKN 0.9046
108 MZM 0.9046
109 8YH 0.9044
110 3CX 0.9042
111 22F 0.9042
112 1AJ 0.9041
113 EQA 0.9041
114 3VW 0.9040
115 613 0.9034
116 6DH 0.9033
117 GNR 0.9033
118 4BX 0.9032
119 3D3 0.9032
120 6C4 0.9032
121 0OY 0.9031
122 EUH 0.9029
123 535 0.9029
124 LFQ 0.9019
125 5PV 0.9018
126 6N4 0.9018
127 7PJ 0.9017
128 L03 0.9017
129 FZ0 0.9017
130 NAL 0.9015
131 D9Z 0.9013
132 S45 0.9011
133 TXW 0.9010
134 SX2 0.9007
135 4AU 0.9006
136 FZ6 0.9001
137 GOE 0.8995
138 6NZ 0.8993
139 8RK 0.8993
140 5TT 0.8993
141 8D6 0.8991
142 0OL 0.8990
143 PQT 0.8990
144 OCZ 0.8990
145 IWT 0.8989
146 YZ9 0.8981
147 KMY 0.8981
148 DI9 0.8980
149 HBI 0.8980
150 5TO 0.8976
151 OJD 0.8974
152 1PS 0.8972
153 D1Y 0.8972
154 RPN 0.8969
155 3XH 0.8969
156 KYN 0.8968
157 9FH 0.8968
158 4G2 0.8965
159 BZQ 0.8964
160 ET0 0.8964
161 6C5 0.8963
162 7MW 0.8960
163 4NS 0.8960
164 363 0.8958
165 S8G 0.8956
166 VFG 0.8955
167 4NP 0.8954
168 5B2 0.8953
169 E42 0.8952
170 KLV 0.8950
171 G30 0.8948
172 ENG 0.8943
173 EQW 0.8942
174 FHV 0.8934
175 HQJ 0.8932
176 EYY 0.8932
177 1XS 0.8931
178 R20 0.8930
179 N1E 0.8926
180 3EB 0.8926
181 XRS 0.8926
182 BZJ 0.8925
183 KCH 0.8925
184 AED 0.8922
185 90G 0.8921
186 H48 0.8921
187 LZ5 0.8920
188 2GQ 0.8919
189 5E5 0.8914
190 6HO 0.8914
191 68B 0.8907
192 XDK 0.8904
193 0QA 0.8902
194 EGV 0.8902
195 JCZ 0.8902
196 5WN 0.8901
197 9JT 0.8900
198 FC2 0.8899
199 PRO GLY 0.8897
200 NIR 0.8896
201 ATX 0.8895
202 H4E 0.8891
203 C53 0.8888
204 7AP 0.8887
205 KPV 0.8886
206 7PS 0.8885
207 11X 0.8884
208 EVO 0.8884
209 J1K 0.8882
210 E9S 0.8882
211 22T 0.8881
212 37E 0.8881
213 6C9 0.8880
214 EAJ 0.8880
215 QR2 0.8875
216 II4 0.8874
217 4MB 0.8872
218 L22 0.8871
219 3IP 0.8869
220 TT4 0.8869
221 CT0 0.8867
222 TJM 0.8867
223 S7S 0.8866
224 52F 0.8864
225 492 0.8864
226 MJW 0.8864
227 A6W 0.8863
228 FT6 0.8863
229 2FX 0.8863
230 EV3 0.8862
231 BVA 0.8861
232 M5H 0.8861
233 M78 0.8861
234 GO2 0.8860
235 IAC 0.8857
236 Q8G 0.8856
237 GXG 0.8855
238 OA1 0.8854
239 1FE 0.8854
240 F4K 0.8853
241 J38 0.8853
242 HLP 0.8851
243 MUX 0.8851
244 TRP 0.8851
245 28A 0.8851
246 L02 0.8850
247 D53 0.8849
248 TIA 0.8849
249 L5V 0.8848
250 BIO 0.8848
251 TMG 0.8846
252 BQ2 0.8842
253 2J3 0.8842
254 S8P 0.8841
255 HL6 0.8841
256 CSN 0.8840
257 RKY 0.8839
258 HSA 0.8837
259 1SF 0.8837
260 2P3 0.8836
261 NPS 0.8835
262 3D8 0.8834
263 SKF 0.8833
264 DBS 0.8832
265 HH6 0.8831
266 3N1 0.8831
267 W23 0.8830
268 3S9 0.8829
269 P1J 0.8826
270 BZE 0.8825
271 9KZ 0.8824
272 A7H 0.8823
273 KWB 0.8821
274 6FB 0.8820
275 Q8D 0.8820
276 S7G 0.8820
277 B21 0.8818
278 4I8 0.8817
279 6FR 0.8817
280 5LD 0.8817
281 JHY 0.8817
282 H2B 0.8815
283 47V 0.8812
284 DXK 0.8811
285 EYV 0.8811
286 P4L 0.8809
287 AZY 0.8807
288 IJ1 0.8806
289 0ON 0.8806
290 4EU 0.8804
291 28B 0.8803
292 DTR 0.8798
293 MD6 0.8797
294 5WS 0.8796
295 PIQ 0.8794
296 WDW 0.8794
297 GF4 0.8793
298 B2T 0.8793
299 NEU 0.8792
300 RVE 0.8792
301 0OM 0.8791
302 BPY 0.8791
303 SJK 0.8789
304 K4V 0.8789
305 SB7 0.8789
306 HNT 0.8789
307 6L6 0.8788
308 3IL 0.8786
309 HRM 0.8784
310 I2E 0.8783
311 T1N 0.8781
312 549 0.8781
313 4V2 0.8780
314 2O8 0.8780
315 4AF 0.8780
316 PA5 0.8777
317 N18 0.8776
318 SRO 0.8776
319 8Y7 0.8773
320 1FL 0.8773
321 QME 0.8772
322 HX4 0.8772
323 KLS 0.8769
324 XEN 0.8769
325 CX4 0.8768
326 7N8 0.8765
327 4Z0 0.8764
328 SZA 0.8764
329 G6Q 0.8764
330 7ZL 0.8763
331 ZEA 0.8763
332 BZS 0.8759
333 6TZ 0.8759
334 5GT 0.8758
335 CXA 0.8756
336 2JX 0.8756
337 833 0.8755
338 IOP 0.8755
339 8V8 0.8751
340 PTR 0.8750
341 CK2 0.8750
342 M83 0.8749
343 4GU 0.8748
344 LTN 0.8745
345 B41 0.8744
346 ING 0.8744
347 XEV 0.8742
348 C0W 0.8740
349 EMU 0.8739
350 BGT 0.8739
351 C0H 0.8739
352 VGS 0.8738
353 GAE 0.8735
354 ALE 0.8732
355 XDE 0.8732
356 C4E 0.8731
357 REG 0.8731
358 X48 0.8731
359 K7H 0.8729
360 CNI 0.8729
361 KF5 0.8729
362 PPN 0.8728
363 GZ2 0.8728
364 2OH 0.8727
365 NWD 0.8727
366 MGB 0.8727
367 GGG 0.8727
368 EZL 0.8726
369 0DF 0.8725
370 30G 0.8724
371 QKU 0.8724
372 848 0.8722
373 HX8 0.8721
374 Q06 0.8720
375 STV 0.8713
376 WT2 0.8711
377 92G 0.8711
378 1A7 0.8711
379 N9J 0.8710
380 A6Z 0.8709
381 BL0 0.8708
382 5P3 0.8707
383 14Z 0.8707
384 F6R 0.8707
385 5DL 0.8705
386 5VU 0.8703
387 DED 0.8703
388 TPM 0.8702
389 MNP 0.8701
390 EYM 0.8701
391 5AD 0.8700
392 4ZD 0.8698
393 KWH 0.8698
394 L07 0.8697
395 5KN 0.8697
396 QIV 0.8697
397 I58 0.8696
398 AVO 0.8693
399 4XF 0.8691
400 4FP 0.8691
401 0F3 0.8690
402 BP7 0.8689
403 6J9 0.8689
404 TSR 0.8688
405 SSY 0.8687
406 VFJ 0.8686
407 22L 0.8684
408 JGY 0.8683
409 S0E 0.8683
410 3SU 0.8681
411 GGB 0.8681
412 5DS 0.8680
413 PZX 0.8680
414 YZM 0.8680
415 ALY 0.8680
416 NPA 0.8680
417 HJ7 0.8678
418 HRG 0.8676
419 AAN 0.8675
420 SYD 0.8675
421 ZSP 0.8674
422 ARG 0.8672
423 6KT 0.8671
424 4JK 0.8669
425 S0J 0.8668
426 EYA 0.8668
427 ZME 0.8667
428 9BF 0.8667
429 4Z9 0.8667
430 PHE ALA 0.8666
431 EY7 0.8666
432 LVD 0.8665
433 3DE 0.8664
434 S0A 0.8663
435 WCU 0.8663
436 NLA 0.8663
437 GO8 0.8662
438 1ZC 0.8661
439 GNW 0.8660
440 7MX 0.8660
441 M28 0.8658
442 WV7 0.8657
443 5O6 0.8655
444 MPV 0.8654
445 EMF 0.8653
446 Q9T 0.8653
447 JZA 0.8652
448 F40 0.8651
449 EUE 0.8650
450 6DQ 0.8649
451 AH9 0.8649
452 94W 0.8649
453 PQZ 0.8648
454 GZV 0.8648
455 U4J 0.8645
456 GLY GLY GLY 0.8644
457 HNM 0.8644
458 PNP 0.8641
459 Z25 0.8641
460 TIZ 0.8638
461 LR2 0.8638
462 SSC 0.8638
463 2UD 0.8637
464 0J4 0.8636
465 KP2 0.8636
466 9R5 0.8635
467 GNJ 0.8632
468 ESJ 0.8631
469 A18 0.8629
470 SOV 0.8626
471 M3E 0.8624
472 0FR 0.8623
473 5UH 0.8623
474 AQ1 0.8622
475 B15 0.8621
476 N2M 0.8620
477 HA6 0.8619
478 SNV 0.8618
479 531 0.8614
480 G1P 0.8613
481 8NB 0.8612
482 FY8 0.8612
483 B61 0.8610
484 6ZX 0.8610
485 NFZ 0.8610
486 5GV 0.8609
487 27M 0.8605
488 SNJ 0.8604
489 CWJ 0.8603
490 TOH 0.8600
491 0J5 0.8595
492 0LA 0.8594
493 3QO 0.8594
494 CC5 0.8594
495 IPR 0.8592
496 PMM 0.8592
497 4Z3 0.8591
498 DEW 0.8590
499 YE7 0.8584
500 LIT 0.8584
501 1N5 0.8581
502 BQ5 0.8576
503 FZ3 0.8574
504 ALA DGL 0.8573
505 P4F 0.8573
506 EGR 0.8570
507 1OS 0.8566
508 7L4 0.8565
509 X2M 0.8564
510 AVX 0.8564
511 GNY 0.8562
512 3VX 0.8561
513 5RP 0.8561
514 536 0.8560
515 ALA ALA ALA 0.8559
516 8XL 0.8557
517 C5F 0.8553
518 C8O 0.8549
519 9ZE 0.8548
520 MUK 0.8547
521 4AV 0.8546
522 S62 0.8546
523 3NF 0.8541
524 0RY 0.8530
525 IOS 0.8516
526 SLS 0.8515
527 CX5 0.8504
528 Q2S 0.8504
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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