Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D3G A:501;
B:501;
C:501;
D:501;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ki = 130 nM
174.199 C10 H10 N2 O c1cc(...
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: D3G; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 D3G 1 1
2 D1G 0.625 0.657895
3 D2G 0.612245 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: D3G; Similar ligands found: 816
No: Ligand Similarity coefficient
1 0NX 0.9895
2 IWT 0.9825
3 795 0.9791
4 RA7 0.9698
5 492 0.9653
6 XDK 0.9628
7 7VP 0.9607
8 J9N 0.9587
9 HX4 0.9536
10 HQJ 0.9534
11 7O4 0.9532
12 TT4 0.9527
13 R20 0.9519
14 G14 0.9502
15 4V2 0.9500
16 L22 0.9499
17 0LO 0.9497
18 MPV 0.9488
19 L5V 0.9476
20 PUE 0.9476
21 RKV 0.9474
22 78Y 0.9466
23 AVA 0.9462
24 5F8 0.9461
25 BNL 0.9457
26 36M 0.9456
27 FCD 0.9452
28 ODK 0.9435
29 92G 0.9429
30 ZZA 0.9426
31 60L 0.9418
32 1A7 0.9414
33 L03 0.9409
34 VM1 0.9401
35 LEL 0.9400
36 1L5 0.9377
37 GT4 0.9370
38 3C5 0.9369
39 F4E 0.9360
40 6MW 0.9358
41 5F5 0.9355
42 YZM 0.9351
43 6TZ 0.9350
44 3VQ 0.9347
45 4FF 0.9330
46 A5H 0.9324
47 PPY 0.9317
48 5FL 0.9306
49 BPY 0.9299
50 46P 0.9299
51 X6P 0.9296
52 A29 0.9292
53 BZJ 0.9288
54 NK5 0.9280
55 YE6 0.9277
56 EWG 0.9277
57 4XF 0.9270
58 CK1 0.9268
59 2D2 0.9267
60 0F9 0.9266
61 S7S 0.9265
62 M3E 0.9263
63 PIY 0.9260
64 94W 0.9260
65 XI7 0.9260
66 X6W 0.9257
67 HJH 0.9255
68 MSR 0.9255
69 KMY 0.9253
70 FMQ 0.9252
71 X48 0.9252
72 0BP 0.9251
73 4I8 0.9251
74 D8Q 0.9250
75 4BY 0.9246
76 3ZB 0.9244
77 CH9 0.9242
78 H4E 0.9242
79 V2Z 0.9242
80 GF4 0.9241
81 WVV 0.9239
82 EYJ 0.9237
83 PIM 0.9236
84 15E 0.9229
85 KLE 0.9224
86 MMJ 0.9223
87 CK2 0.9223
88 A98 0.9215
89 6FB 0.9215
90 C82 0.9208
91 JMG 0.9207
92 6ZX 0.9204
93 AOT 0.9201
94 7KE 0.9200
95 5H6 0.9196
96 BP7 0.9194
97 AUV 0.9193
98 N2I 0.9193
99 EN1 0.9190
100 KW8 0.9190
101 PO6 0.9188
102 4BX 0.9186
103 BZE 0.9185
104 27K 0.9184
105 U7E 0.9183
106 3QV 0.9182
107 A7H 0.9176
108 363 0.9176
109 GVY 0.9174
110 4LW 0.9174
111 0K7 0.9173
112 S1D 0.9171
113 M1Z 0.9168
114 QUS 0.9165
115 K48 0.9164
116 NCT 0.9164
117 C53 0.9161
118 GVG 0.9160
119 TCR 0.9159
120 CWJ 0.9158
121 CPZ 0.9155
122 9R5 0.9154
123 5TZ 0.9153
124 TCA 0.9152
125 GO2 0.9151
126 K97 0.9149
127 HIC 0.9149
128 SNU 0.9148
129 XIZ 0.9148
130 BQ2 0.9145
131 5C1 0.9145
132 ONR 0.9143
133 ENO 0.9142
134 GOJ 0.9142
135 P80 0.9140
136 Q4G 0.9139
137 8CC 0.9138
138 28A 0.9133
139 JSX 0.9131
140 5QY 0.9129
141 JBZ 0.9128
142 HRM 0.9126
143 6HO 0.9126
144 1XS 0.9125
145 0JD 0.9125
146 J6W 0.9124
147 9UL 0.9124
148 B2T 0.9123
149 BZ2 0.9123
150 VBC 0.9123
151 2F6 0.9122
152 X11 0.9121
153 ESX 0.9120
154 FHC 0.9119
155 EYV 0.9117
156 N9J 0.9115
157 LL1 0.9115
158 8NB 0.9115
159 TB8 0.9114
160 F63 0.9113
161 FF2 0.9112
162 7MX 0.9112
163 4AU 0.9106
164 N3W 0.9106
165 GOE 0.9105
166 4G2 0.9105
167 4BL 0.9104
168 J9T 0.9099
169 LFQ 0.9093
170 HFA 0.9092
171 IQQ 0.9091
172 T2D 0.9090
173 L5D 0.9089
174 ESP 0.9088
175 PJW 0.9086
176 549 0.9085
177 ICB 0.9083
178 6KT 0.9081
179 4LV 0.9080
180 GZ2 0.9080
181 A9B 0.9075
182 TMG 0.9073
183 DHC 0.9073
184 3PF 0.9072
185 TZF 0.9072
186 344 0.9072
187 5XC 0.9069
188 15N 0.9068
189 F16 0.9065
190 M4N 0.9065
191 1F1 0.9063
192 5GU 0.9063
193 0W1 0.9062
194 N1E 0.9062
195 3TC 0.9061
196 ALE 0.9060
197 XDE 0.9060
198 FC2 0.9056
199 AN3 0.9054
200 SRO 0.9052
201 8YH 0.9050
202 JG8 0.9049
203 PH3 0.9049
204 LZ5 0.9048
205 M45 0.9047
206 HNL 0.9046
207 EGR 0.9044
208 UNJ 0.9043
209 30G 0.9042
210 428 0.9041
211 FQX 0.9041
212 49P 0.9040
213 8XL 0.9040
214 28B 0.9039
215 IQ5 0.9038
216 EQW 0.9036
217 SLS 0.9036
218 61M 0.9034
219 M5H 0.9033
220 9CA 0.9031
221 1VK 0.9030
222 TIH 0.9030
223 0XT 0.9028
224 5E5 0.9028
225 E1T 0.9026
226 KJU 0.9026
227 LVD 0.9026
228 M3H 0.9024
229 4Z3 0.9022
230 8WO 0.9021
231 9FL 0.9020
232 K80 0.9020
233 6L6 0.9020
234 N4E 0.9019
235 DPN 0.9017
236 F4K 0.9015
237 B21 0.9015
238 6C8 0.9012
239 6NI 0.9011
240 L1T 0.9009
241 ESI 0.9009
242 E5X 0.9008
243 A5E 0.9008
244 X0U 0.9007
245 2FX 0.9007
246 BIK 0.9006
247 KDG 0.9005
248 0HN 0.9004
249 HIS 0.9003
250 2BG 0.9003
251 1IT 0.9002
252 PNZ 0.9002
253 3R4 0.9000
254 XCG 0.8999
255 PQT 0.8999
256 Y3L 0.8998
257 RNO 0.8998
258 069 0.8991
259 FDR 0.8990
260 HCI 0.8990
261 HBO 0.8990
262 MD6 0.8989
263 3VW 0.8989
264 IAC 0.8989
265 AJY 0.8988
266 BVA 0.8988
267 I2E 0.8987
268 E1P 0.8984
269 6C9 0.8984
270 SNO 0.8984
271 RCV 0.8983
272 7ZL 0.8982
273 4P5 0.8982
274 4YO 0.8980
275 HL4 0.8978
276 GJZ 0.8978
277 9ZE 0.8977
278 ANN 0.8976
279 6NT 0.8975
280 6FZ 0.8974
281 DEW 0.8973
282 2ZM 0.8973
283 OA1 0.8971
284 14W 0.8971
285 RQD 0.8971
286 TYL 0.8970
287 7QS 0.8967
288 4WL 0.8966
289 NFA 0.8966
290 7MW 0.8965
291 7OD 0.8964
292 PBN 0.8964
293 1M2 0.8962
294 BVS 0.8961
295 36Y 0.8959
296 2UZ 0.8958
297 LNR 0.8958
298 E7S 0.8957
299 2QC 0.8957
300 SOV 0.8957
301 7MU 0.8956
302 JWS 0.8954
303 DE5 0.8952
304 KDV 0.8952
305 KTJ 0.8951
306 N0Z 0.8951
307 NF3 0.8950
308 7UZ 0.8949
309 3NY 0.8949
310 3GV 0.8947
311 ZME 0.8947
312 4JQ 0.8947
313 0OL 0.8946
314 0HO 0.8946
315 C1M 0.8945
316 CXH 0.8944
317 BGU 0.8944
318 JAW 0.8944
319 SKF 0.8943
320 EQA 0.8943
321 ANC 0.8941
322 KCH 0.8941
323 1ER 0.8941
324 0SY 0.8939
325 PHE 0.8939
326 EVF 0.8938
327 QIV 0.8937
328 BSA 0.8935
329 1Z6 0.8933
330 PH2 0.8933
331 B4O 0.8932
332 TIA 0.8932
333 CNI 0.8932
334 535 0.8927
335 8D6 0.8925
336 R2P 0.8924
337 EV2 0.8923
338 M83 0.8922
339 ES2 0.8922
340 FZM 0.8922
341 8NX 0.8922
342 THU 0.8921
343 SAF 0.8920
344 4VY 0.8920
345 2HC 0.8920
346 4ZD 0.8919
347 TYR 0.8919
348 MQN 0.8918
349 ISZ 0.8916
350 PRL 0.8916
351 TGX 0.8915
352 HHH 0.8915
353 D48 0.8912
354 HDH 0.8911
355 4ZA 0.8911
356 KWB 0.8911
357 TJM 0.8911
358 6QF 0.8909
359 5GT 0.8909
360 SSC 0.8908
361 3YP 0.8907
362 A7Q 0.8906
363 3VX 0.8906
364 GLR 0.8906
365 X0W 0.8906
366 3H2 0.8906
367 GO8 0.8904
368 FHV 0.8904
369 12T 0.8904
370 3XH 0.8904
371 HA5 0.8903
372 DIR 0.8903
373 TRP 0.8903
374 SB7 0.8901
375 KYN 0.8901
376 7R4 0.8900
377 7Q1 0.8900
378 GNW 0.8900
379 DHI 0.8898
380 PRO GLY 0.8898
381 5B2 0.8896
382 AZM 0.8895
383 F2W 0.8895
384 P7V 0.8895
385 N8Y 0.8894
386 LTT 0.8894
387 F31 0.8894
388 FER 0.8894
389 FUD 0.8893
390 A6W 0.8892
391 JCZ 0.8891
392 N2Z 0.8891
393 FK8 0.8890
394 VXX 0.8889
395 FTV 0.8888
396 52C 0.8888
397 CSN 0.8886
398 5GV 0.8886
399 B40 0.8885
400 BHO 0.8885
401 RUY 0.8884
402 0TU 0.8884
403 97T 0.8884
404 3IL 0.8883
405 VNL 0.8883
406 6Q3 0.8882
407 HNK 0.8881
408 79W 0.8881
409 KTW 0.8881
410 BZQ 0.8880
411 PKU 0.8879
412 TZM 0.8879
413 J5I 0.8878
414 URO 0.8878
415 TOH 0.8878
416 LJ3 0.8877
417 1P8 0.8877
418 SOJ 0.8876
419 NIZ 0.8875
420 JDN 0.8875
421 ATX 0.8874
422 3A9 0.8872
423 V1T 0.8872
424 P93 0.8871
425 8ZE 0.8871
426 TXW 0.8871
427 JP2 0.8870
428 C0H 0.8869
429 4NB 0.8868
430 HC4 0.8868
431 DTY 0.8867
432 56D 0.8867
433 2LW 0.8867
434 LSQ 0.8866
435 LQ2 0.8866
436 6VD 0.8864
437 5TY 0.8863
438 YIE 0.8862
439 6NZ 0.8862
440 XIY 0.8861
441 AMR 0.8860
442 DUR 0.8859
443 1WC 0.8857
444 JB8 0.8857
445 ERZ 0.8857
446 8W9 0.8856
447 PEY 0.8856
448 MUK 0.8856
449 463 0.8855
450 36E 0.8855
451 ABI 0.8853
452 CFI 0.8853
453 1ZC 0.8852
454 5OB 0.8852
455 5VL 0.8851
456 NYL 0.8851
457 AKG 0.8851
458 UKV 0.8851
459 HL6 0.8851
460 9FE 0.8851
461 TYE 0.8851
462 MAJ 0.8848
463 OW4 0.8848
464 OTR 0.8847
465 J1K 0.8846
466 HSO 0.8846
467 2FQ 0.8846
468 L99 0.8844
469 DZA 0.8842
470 ZYR 0.8842
471 S60 0.8842
472 SSY 0.8842
473 KLS 0.8842
474 AOS 0.8841
475 G3E 0.8841
476 S0E 0.8840
477 5RP 0.8839
478 I1E 0.8839
479 IPO 0.8838
480 6SD 0.8837
481 3VS 0.8836
482 HNT 0.8835
483 E3X 0.8835
484 BZ3 0.8835
485 1HN 0.8834
486 N91 0.8834
487 J9Q 0.8832
488 6FG 0.8832
489 IOP 0.8832
490 DRG 0.8831
491 II4 0.8829
492 SQV 0.8828
493 GGB 0.8828
494 5LA 0.8826
495 5NI 0.8824
496 TSS 0.8824
497 PRA 0.8824
498 YTX 0.8823
499 FIX 0.8822
500 5WZ 0.8822
501 NIR 0.8821
502 I3E 0.8819
503 ARG 0.8818
504 8HC 0.8817
505 HHR 0.8816
506 HXY 0.8815
507 2HQ 0.8814
508 MS0 0.8814
509 OVM 0.8813
510 MR1 0.8813
511 1HR 0.8812
512 0FK 0.8812
513 LPK 0.8812
514 2HU 0.8811
515 OCZ 0.8811
516 4RU 0.8811
517 1SF 0.8811
518 4BZ 0.8810
519 DXK 0.8810
520 AY4 0.8810
521 0UL 0.8808
522 HLP 0.8807
523 JAH 0.8805
524 K34 0.8804
525 0FR 0.8804
526 K4V 0.8804
527 GNY 0.8802
528 92P 0.8801
529 TPA 0.8798
530 HHI 0.8797
531 173 0.8792
532 ZEA 0.8791
533 AJ1 0.8790
534 SJK 0.8789
535 Q06 0.8789
536 4NM 0.8788
537 BNF 0.8788
538 259 0.8787
539 DDU 0.8786
540 E79 0.8786
541 IOS 0.8786
542 2O6 0.8785
543 GCO 0.8784
544 Z70 0.8783
545 68A 0.8782
546 RD4 0.8782
547 M6H 0.8780
548 PFF 0.8779
549 2PK 0.8779
550 BQ5 0.8779
551 1AJ 0.8779
552 AJV 0.8779
553 0OY 0.8778
554 6C4 0.8777
555 4GU 0.8776
556 OGA 0.8775
557 SOR 0.8774
558 JGB 0.8774
559 JF5 0.8773
560 N2M 0.8773
561 P7Y 0.8773
562 KPV 0.8773
563 EUE 0.8772
564 THA 0.8772
565 RVE 0.8771
566 CXP 0.8769
567 EAJ 0.8769
568 QKU 0.8768
569 4BF 0.8768
570 D9Z 0.8767
571 2GQ 0.8767
572 9BF 0.8767
573 5TO 0.8766
574 ANF 0.8765
575 2PV 0.8763
576 SE2 0.8763
577 GJP 0.8763
578 H42 0.8762
579 4HB 0.8760
580 C4E 0.8760
581 XEV 0.8759
582 R9Y 0.8759
583 833 0.8759
584 EXD 0.8758
585 HNM 0.8758
586 3QO 0.8757
587 6C5 0.8757
588 HJ7 0.8757
589 1X4 0.8756
590 AHN 0.8755
591 OW7 0.8754
592 K2T 0.8754
593 4TB 0.8753
594 NNH 0.8753
595 MPK 0.8752
596 6ME 0.8752
597 COU 0.8752
598 3D8 0.8751
599 PDC 0.8751
600 PPT 0.8750
601 SDD 0.8750
602 GNM 0.8748
603 HBI 0.8748
604 39O 0.8747
605 S46 0.8747
606 MVH 0.8747
607 27B 0.8746
608 ZRK 0.8746
609 MXD 0.8746
610 7UC 0.8744
611 44V 0.8744
612 5LD 0.8742
613 DTR 0.8742
614 1FE 0.8741
615 QR2 0.8741
616 HHS 0.8741
617 2HG 0.8741
618 TR4 0.8739
619 1A5 0.8739
620 AJG 0.8737
621 S0D 0.8737
622 2LY 0.8735
623 4FP 0.8735
624 IHB 0.8734
625 MS9 0.8733
626 DQU 0.8733
627 ZEC 0.8733
628 S2P 0.8732
629 S2G 0.8732
630 P81 0.8730
631 EGV 0.8729
632 NAG 0.8726
633 XRS 0.8726
634 FBB 0.8725
635 DAH 0.8725
636 P4L 0.8725
637 AX3 0.8724
638 OOG 0.8723
639 5DL 0.8723
640 O45 0.8722
641 LT2 0.8722
642 2AQ 0.8720
643 AA 0.8719
644 SWX 0.8718
645 CS2 0.8718
646 MES 0.8718
647 LL2 0.8715
648 TAG 0.8714
649 PHU 0.8714
650 OJD 0.8712
651 DPT 0.8711
652 9PL 0.8711
653 XQI 0.8708
654 VFG 0.8708
655 1KP 0.8705
656 OCH 0.8705
657 4FS 0.8704
658 P9E 0.8703
659 YPN 0.8702
660 F9P 0.8701
661 QSB 0.8701
662 2GD 0.8700
663 JYB 0.8700
664 NIY 0.8699
665 SZ7 0.8699
666 KF5 0.8698
667 GNV 0.8697
668 P1J 0.8696
669 PIQ 0.8696
670 D1Y 0.8695
671 TWO 0.8692
672 657 0.8692
673 C2Y 0.8691
674 28N 0.8689
675 VGD 0.8688
676 258 0.8688
677 GZL 0.8688
678 1PS 0.8686
679 KUF 0.8686
680 XRX 0.8686
681 Y4L 0.8682
682 QMP 0.8681
683 B62 0.8681
684 SHI 0.8680
685 JTA 0.8680
686 E9S 0.8679
687 6RQ 0.8677
688 WOE 0.8677
689 GLU 0.8677
690 22F 0.8676
691 ARP 0.8676
692 TU0 0.8675
693 8WT 0.8674
694 ES5 0.8674
695 DX3 0.8673
696 1QP 0.8673
697 Q04 0.8673
698 JF2 0.8672
699 45L 0.8670
700 NFZ 0.8670
701 DCZ 0.8669
702 SQ4 0.8669
703 VFM 0.8669
704 XIF XYP 0.8669
705 XYP XIF 0.8669
706 4TU 0.8669
707 GLO 0.8668
708 WSD 0.8668
709 7ME 0.8668
710 ROI 0.8667
711 BEA 0.8667
712 2K8 0.8667
713 KYA 0.8665
714 DXG 0.8665
715 MZM 0.8663
716 03V 0.8663
717 GRQ 0.8659
718 7QD 0.8659
719 37E 0.8659
720 4MB 0.8658
721 PD2 0.8658
722 DNF 0.8658
723 SX2 0.8657
724 AMH 0.8655
725 LNN 0.8655
726 CKA 0.8655
727 CLW 0.8654
728 36R 0.8653
729 3MB 0.8651
730 86J 0.8651
731 PQ0 0.8650
732 5P3 0.8649
733 5VU 0.8649
734 EV3 0.8649
735 A3M 0.8645
736 SYV 0.8644
737 BIO 0.8643
738 U4J 0.8642
739 W29 0.8640
740 GAE 0.8638
741 55D 0.8638
742 N7I 0.8637
743 CFA 0.8635
744 AG2 0.8632
745 9JT 0.8629
746 4JT 0.8629
747 3AE 0.8626
748 X1R 0.8626
749 3J8 0.8626
750 LDC 0.8626
751 OVP 0.8625
752 UFO 0.8625
753 C9E 0.8620
754 M6Z 0.8620
755 NDG 0.8619
756 47V 0.8619
757 MMS 0.8618
758 LO1 0.8618
759 9NB 0.8618
760 4NP 0.8615
761 GB5 0.8614
762 AL0 0.8613
763 GNR 0.8612
764 MUR 0.8611
765 3QM 0.8610
766 DA4 0.8607
767 2J1 0.8606
768 HQD 0.8606
769 268 0.8605
770 WUB 0.8604
771 HSA 0.8604
772 F9Y 0.8598
773 B41 0.8598
774 H4B 0.8597
775 68B 0.8597
776 K7H 0.8591
777 1FL 0.8591
778 LR5 0.8589
779 DVQ 0.8588
780 2FY 0.8585
781 ET2 0.8585
782 EYY 0.8581
783 3Y7 0.8580
784 FEH 0.8578
785 M4E 0.8576
786 2JK 0.8575
787 ZYQ 0.8573
788 VGS 0.8568
789 27M 0.8568
790 4Z9 0.8567
791 0FO 0.8566
792 HH6 0.8565
793 3SU 0.8565
794 0N7 0.8562
795 BK9 0.8561
796 RBV 0.8560
797 K7M 0.8557
798 LDP 0.8557
799 9KZ 0.8554
800 CHB 0.8553
801 YE7 0.8552
802 9LI 0.8550
803 CWS 0.8549
804 5RO 0.8548
805 44W 0.8547
806 XHP 0.8545
807 80G 0.8544
808 7PJ 0.8538
809 DHM 0.8534
810 3XR 0.8532
811 3CX 0.8530
812 JF1 0.8527
813 HNE 0.8526
814 CCV 0.8525
815 6ZW 0.8516
816 WS7 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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