Receptor
PDB id Resolution Class Description Source Keywords
4P58 2.06 Å EC: 2.1.1.6 CRYSTAL STRUCTURE OF MOUSE COMT BOUND TO AN INHIBITOR MUS MUSCULUS SAM BINDING SITE
Ref.: A FRAGMENT-BASED APPROACH TO IDENTIFYING S-ADENOSYL-L-METHIONINE -COMPETITIVE INHIBITORS OF O-METHYL TRANSFERASE (COMT). J.MED.CHEM. V. 57 5459 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2F6 A:301;
 Valid;
 none;
 Kd = 63 uM
162.192 C8 H10 N4 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HVJ 1.79 Å EC: 2.1.1.6 RAT CATECHOL O-METHYLTRANSFERASE IN COMPLEX WITH A CATECHOL- PROPYLADENINE-CONTAINING BISUBSTRATE INHIBITOR RATTUS NORVEGICUS METHYLTRANSFERASE NEUROTRANSMITTER DEGRADATION ALTERNATIVEINITIATION CATECHOLAMINE METABOLISM CELL MEMBRANE MAGNESMEMBRANE METAL-BINDING PHOSPHOPROTEIN S-ADENOSYL-L-METHISIGNAL-ANCHOR TRANSFERASE TRANSMEMBRANE
Ref.: MOLECULAR RECOGNITION AT THE ACTIVE SITE OF CATECHOL-O-METHYLTRANSFERASE: ENERGETICALLY FAVORAB REPLACEMENT OF A WATER MOLECULE IMPORTED BY A BISUB INHIBITOR. ANGEW.CHEM.INT.ED.ENGL. V. 48 9092 2009
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3OZT Ki = 74.9 uM OZZ C19 H19 N3 O9 c1c(cc(c(c....
2 3U81 Ki = 36 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5K0F ic50 = 0.47 uM 6P1 C17 H19 N3 O S Cc1c(sc(n1....
4 3OZR Ki = 7022 nM OZR C14 H16 N2 O8 c1c(cc(c(c....
5 5FHR - DNC C6 H4 N2 O6 c1c(cc(c(c....
6 3HVJ Ki = 2 nM 705 C28 H29 F N6 O6 CCCNc1c2c(....
7 6GY1 ic50 = 0.501 uM FGQ C16 H12 F N O3 S Cc1ccc(cc1....
8 3R6T ic50 = 1368 nM LU1 C26 H24 F N5 O5 Cc1c2c(ncn....
9 2CL5 - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 4P58 Kd = 63 uM 2F6 C8 H10 N4 Cc1c(cn(n1....
11 4PYQ ic50 = 4.4 uM 2X1 C15 H17 N5 O [H]/N=C(/c....
12 3OZS Ki = 4645 nM OZS C18 H17 F3 N4 O8 c1c(cc(c(c....
13 4PYN ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3NWE ic50 = 25 nM 662 C29 H31 F N6 O5 CCCNc1c2c(....
15 4PYL - SFG C15 H23 N7 O5 c1nc(c2c(n....
16 4PYO ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 3NW9 Ki = 1 nM 637 C26 H24 F N5 O6 Cc1c2c(ncn....
18 3OE4 Ki = 34 nM 610 C19 H18 N6 O8 c1c(cc(c(c....
19 3NWB ic50 = 11 nM 659 C26 H24 F2 N6 O5 CNc1c2c(nc....
20 3HVH Ki = 3 nM 542 C26 H25 F N6 O6 CNc1c2c(nc....
21 1VID - SAM C15 H22 N6 O5 S C[S@@+](CC....
22 3OE5 Ki = 132 nM 611 C19 H19 N3 O8 S c1cnccc1S[....
23 3HVI Ki = 5 nM 619 C27 H27 F N6 O6 CCNc1c2c(n....
24 2ZVJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
25 3S68 - SAM C15 H22 N6 O5 S C[S@@+](CC....
26 5FHQ - DNC C6 H4 N2 O6 c1c(cc(c(c....
27 4P7K - SFG C15 H23 N7 O5 c1nc(c2c(n....
28 3HVK Ki = 3 nM 719 C27 H27 F N6 O7 c1cc(ccc1c....
29 1H1D Ki = 6 nM BIA C20 H20 F3 N3 O5 c1cc(cc(c1....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OZT Ki = 74.9 uM OZZ C19 H19 N3 O9 c1c(cc(c(c....
2 3U81 Ki = 36 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5K0F ic50 = 0.47 uM 6P1 C17 H19 N3 O S Cc1c(sc(n1....
4 3OZR Ki = 7022 nM OZR C14 H16 N2 O8 c1c(cc(c(c....
5 5FHR - DNC C6 H4 N2 O6 c1c(cc(c(c....
6 3HVJ Ki = 2 nM 705 C28 H29 F N6 O6 CCCNc1c2c(....
7 6GY1 ic50 = 0.501 uM FGQ C16 H12 F N O3 S Cc1ccc(cc1....
8 3R6T ic50 = 1368 nM LU1 C26 H24 F N5 O5 Cc1c2c(ncn....
9 2CL5 - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 4P58 Kd = 63 uM 2F6 C8 H10 N4 Cc1c(cn(n1....
11 4PYQ ic50 = 4.4 uM 2X1 C15 H17 N5 O [H]/N=C(/c....
12 3OZS Ki = 4645 nM OZS C18 H17 F3 N4 O8 c1c(cc(c(c....
13 4PYN ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3NWE ic50 = 25 nM 662 C29 H31 F N6 O5 CCCNc1c2c(....
15 4PYL - SFG C15 H23 N7 O5 c1nc(c2c(n....
16 4PYO ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 3NW9 Ki = 1 nM 637 C26 H24 F N5 O6 Cc1c2c(ncn....
18 3OE4 Ki = 34 nM 610 C19 H18 N6 O8 c1c(cc(c(c....
19 3NWB ic50 = 11 nM 659 C26 H24 F2 N6 O5 CNc1c2c(nc....
20 3HVH Ki = 3 nM 542 C26 H25 F N6 O6 CNc1c2c(nc....
21 1VID - SAM C15 H22 N6 O5 S C[S@@+](CC....
22 3OE5 Ki = 132 nM 611 C19 H19 N3 O8 S c1cnccc1S[....
23 3HVI Ki = 5 nM 619 C27 H27 F N6 O6 CCNc1c2c(n....
24 2ZVJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
25 3S68 - SAM C15 H22 N6 O5 S C[S@@+](CC....
26 5FHQ - DNC C6 H4 N2 O6 c1c(cc(c(c....
27 4P7K - SFG C15 H23 N7 O5 c1nc(c2c(n....
28 3HVK Ki = 3 nM 719 C27 H27 F N6 O7 c1cc(ccc1c....
29 1H1D Ki = 6 nM BIA C20 H20 F3 N3 O5 c1cc(cc(c1....
30 3BWY - SAM C15 H22 N6 O5 S C[S@@+](CC....
31 4XUE ic50 > 5000 nM 43J C17 H14 N2 O2 CN1C(=NC=C....
32 4XUD ic50 = 200 nM 43H C17 H14 B N O4 B(C1=CN(C=....
33 6I3C - SAM C15 H22 N6 O5 S C[S@@+](CC....
34 6I3D - DNC C6 H4 N2 O6 c1c(cc(c(c....
35 3BWM - SAM C15 H22 N6 O5 S C[S@@+](CC....
36 4XUC ic50 = 1100 nM 43G C17 H13 N O2 c1ccc(cc1)....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OZT Ki = 74.9 uM OZZ C19 H19 N3 O9 c1c(cc(c(c....
2 3U81 Ki = 36 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5K0F ic50 = 0.47 uM 6P1 C17 H19 N3 O S Cc1c(sc(n1....
4 3OZR Ki = 7022 nM OZR C14 H16 N2 O8 c1c(cc(c(c....
5 5FHR - DNC C6 H4 N2 O6 c1c(cc(c(c....
6 3HVJ Ki = 2 nM 705 C28 H29 F N6 O6 CCCNc1c2c(....
7 6GY1 ic50 = 0.501 uM FGQ C16 H12 F N O3 S Cc1ccc(cc1....
8 3R6T ic50 = 1368 nM LU1 C26 H24 F N5 O5 Cc1c2c(ncn....
9 2CL5 - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 4P58 Kd = 63 uM 2F6 C8 H10 N4 Cc1c(cn(n1....
11 4PYQ ic50 = 4.4 uM 2X1 C15 H17 N5 O [H]/N=C(/c....
12 3OZS Ki = 4645 nM OZS C18 H17 F3 N4 O8 c1c(cc(c(c....
13 4PYN ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3NWE ic50 = 25 nM 662 C29 H31 F N6 O5 CCCNc1c2c(....
15 4PYL - SFG C15 H23 N7 O5 c1nc(c2c(n....
16 4PYO ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 3NW9 Ki = 1 nM 637 C26 H24 F N5 O6 Cc1c2c(ncn....
18 3OE4 Ki = 34 nM 610 C19 H18 N6 O8 c1c(cc(c(c....
19 3NWB ic50 = 11 nM 659 C26 H24 F2 N6 O5 CNc1c2c(nc....
20 3HVH Ki = 3 nM 542 C26 H25 F N6 O6 CNc1c2c(nc....
21 1VID - SAM C15 H22 N6 O5 S C[S@@+](CC....
22 3OE5 Ki = 132 nM 611 C19 H19 N3 O8 S c1cnccc1S[....
23 3HVI Ki = 5 nM 619 C27 H27 F N6 O6 CCNc1c2c(n....
24 2ZVJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
25 3S68 - SAM C15 H22 N6 O5 S C[S@@+](CC....
26 5FHQ - DNC C6 H4 N2 O6 c1c(cc(c(c....
27 4P7K - SFG C15 H23 N7 O5 c1nc(c2c(n....
28 3HVK Ki = 3 nM 719 C27 H27 F N6 O7 c1cc(ccc1c....
29 1H1D Ki = 6 nM BIA C20 H20 F3 N3 O5 c1cc(cc(c1....
30 3BWY - SAM C15 H22 N6 O5 S C[S@@+](CC....
31 4XUE ic50 > 5000 nM 43J C17 H14 N2 O2 CN1C(=NC=C....
32 4XUD ic50 = 200 nM 43H C17 H14 B N O4 B(C1=CN(C=....
33 6I3C - SAM C15 H22 N6 O5 S C[S@@+](CC....
34 6I3D - DNC C6 H4 N2 O6 c1c(cc(c(c....
35 3BWM - SAM C15 H22 N6 O5 S C[S@@+](CC....
36 4XUC ic50 = 1100 nM 43G C17 H13 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2F6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2F6 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2F6; Similar ligands found: 1089
No: Ligand Similarity coefficient
1 TT4 0.9814
2 J9N 0.9724
3 L5V 0.9675
4 N2Z 0.9663
5 52C 0.9661
6 97T 0.9648
7 HQJ 0.9638
8 46P 0.9637
9 IWT 0.9635
10 CH9 0.9628
11 7VP 0.9620
12 GVG 0.9605
13 R20 0.9603
14 JF6 0.9573
15 0F9 0.9560
16 ONR 0.9556
17 6TZ 0.9550
18 J9T 0.9535
19 1WC 0.9507
20 2ZM 0.9505
21 2AL 0.9485
22 7MU 0.9468
23 ABI 0.9440
24 1XA 0.9434
25 JRB 0.9428
26 3A9 0.9427
27 0HO 0.9425
28 HX4 0.9423
29 NCT 0.9423
30 PJW 0.9417
31 5NI 0.9410
32 1F1 0.9409
33 5XC 0.9406
34 CPZ 0.9401
35 0HN 0.9400
36 URC 0.9399
37 XAZ 0.9396
38 6NT 0.9396
39 8WO 0.9387
40 RUY 0.9385
41 XDK 0.9383
42 A29 0.9382
43 0BP 0.9377
44 N3W 0.9369
45 MSR 0.9369
46 3MB 0.9367
47 94W 0.9366
48 5JQ 0.9362
49 OVM 0.9361
50 ES2 0.9355
51 6NI 0.9353
52 SNU 0.9352
53 CK2 0.9350
54 QBK 0.9349
55 MPV 0.9349
56 PIY 0.9347
57 2HU 0.9338
58 CWJ 0.9337
59 Z5P 0.9333
60 SHA 0.9333
61 A9P 0.9331
62 PIM 0.9330
63 BNL 0.9323
64 BPY 0.9321
65 MUC 0.9320
66 M3H 0.9319
67 5OB 0.9312
68 36Y 0.9310
69 75K 0.9307
70 3NY 0.9307
71 9FL 0.9305
72 1A7 0.9302
73 ET2 0.9296
74 BZ3 0.9293
75 4P5 0.9292
76 F69 0.9291
77 B2Y 0.9289
78 2HC 0.9286
79 T2D 0.9284
80 OTW 0.9277
81 92K 0.9276
82 49O 0.9274
83 1P8 0.9272
84 EA1 0.9271
85 069 0.9271
86 TYL 0.9269
87 AOT 0.9269
88 DQU 0.9266
89 ISZ 0.9265
90 M1Q 0.9264
91 CLW 0.9264
92 PKU 0.9264
93 HNL 0.9264
94 6ME 0.9262
95 OW4 0.9258
96 795 0.9256
97 GAB 0.9253
98 8OZ 0.9253
99 OVV 0.9250
100 HIS 0.9249
101 5GU 0.9248
102 QX4 0.9247
103 VGD 0.9244
104 KJU 0.9242
105 BTY 0.9241
106 5JL 0.9237
107 K2T 0.9235
108 AX3 0.9235
109 173 0.9235
110 BHO 0.9234
111 8TX 0.9232
112 3AL 0.9232
113 3HB 0.9230
114 TWO 0.9230
115 4V2 0.9230
116 0NX 0.9228
117 HNH 0.9227
118 36R 0.9226
119 FDR 0.9225
120 JDN 0.9224
121 OGA 0.9224
122 3OC 0.9222
123 AJ2 0.9221
124 3NT 0.9221
125 B55 0.9217
126 ESP 0.9216
127 2FY 0.9216
128 4MU 0.9215
129 INO 0.9215
130 J9W 0.9213
131 L22 0.9212
132 PD2 0.9212
133 8NX 0.9210
134 FBB 0.9209
135 463 0.9207
136 BEA 0.9205
137 B62 0.9205
138 TZF 0.9204
139 4YO 0.9203
140 3AB 0.9202
141 0W1 0.9201
142 KTJ 0.9200
143 4JQ 0.9199
144 MS9 0.9195
145 K34 0.9194
146 DHB 0.9194
147 Q24 0.9191
148 44W 0.9189
149 YPN 0.9187
150 4HC 0.9185
151 CFI 0.9183
152 N2I 0.9182
153 L13 0.9182
154 AKG 0.9180
155 PNZ 0.9179
156 0JD 0.9174
157 E1T 0.9174
158 MEW 0.9172
159 AVI 0.9172
160 NMJ 0.9171
161 7O4 0.9171
162 PHU 0.9170
163 CFA 0.9170
164 BZ2 0.9166
165 CK1 0.9165
166 AQO 0.9164
167 M5K 0.9164
168 WCE 0.9161
169 F31 0.9158
170 93K 0.9157
171 1L5 0.9157
172 XHP 0.9156
173 8GC 0.9155
174 ANN 0.9154
175 92G 0.9150
176 HQD 0.9150
177 5HN 0.9150
178 PPY 0.9150
179 5VM 0.9147
180 MPK 0.9147
181 92P 0.9145
182 HHH 0.9144
183 BZE 0.9143
184 60Q 0.9143
185 3BZ 0.9143
186 FTV 0.9142
187 P9P 0.9142
188 6RQ 0.9141
189 JAW 0.9140
190 DHK 0.9140
191 2LY 0.9138
192 1IT 0.9137
193 44V 0.9137
194 MUA 0.9135
195 15N 0.9135
196 OCH 0.9134
197 GDE 0.9133
198 2AK 0.9132
199 03V 0.9132
200 AZ8 0.9132
201 GOJ 0.9132
202 NIZ 0.9132
203 MVN 0.9131
204 COU 0.9130
205 0N7 0.9130
206 PAB 0.9129
207 D3G 0.9122
208 BRT 0.9122
209 3PF 0.9122
210 ODO 0.9120
211 6XI 0.9119
212 M4T 0.9118
213 ORO 0.9117
214 L99 0.9117
215 DYT 0.9116
216 4XF 0.9115
217 9CA 0.9114
218 HA5 0.9112
219 C1M 0.9112
220 2AQ 0.9111
221 1Z6 0.9110
222 PHB 0.9110
223 HDH 0.9108
224 2FQ 0.9108
225 53C 0.9107
226 EN1 0.9107
227 LT8 0.9105
228 4FS 0.9105
229 SHI 0.9104
230 PAC 0.9104
231 363 0.9103
232 4CS 0.9103
233 NPO 0.9103
234 HHI 0.9102
235 0FO 0.9100
236 DRL 0.9099
237 HJH 0.9098
238 C2Y 0.9097
239 PDC 0.9096
240 KYA 0.9096
241 I3A 0.9095
242 PEY 0.9094
243 F4E 0.9092
244 PRZ 0.9092
245 BCK 0.9092
246 ES5 0.9089
247 SLS 0.9088
248 8G0 0.9087
249 23J 0.9087
250 D1X 0.9086
251 JG8 0.9083
252 KT7 0.9082
253 P7Y 0.9082
254 FBM 0.9082
255 G3E 0.9080
256 DGN 0.9080
257 5XB 0.9079
258 PZI 0.9076
259 J5I 0.9074
260 KDV 0.9074
261 51R 0.9073
262 F12 0.9072
263 SAF 0.9072
264 7ME 0.9072
265 QUS 0.9071
266 ESI 0.9071
267 344 0.9069
268 R2P 0.9069
269 4WL 0.9069
270 I1E 0.9069
271 BZJ 0.9068
272 R9S 0.9068
273 KTA 0.9067
274 12T 0.9067
275 J6W 0.9067
276 SQ4 0.9065
277 AY4 0.9065
278 9TW 0.9065
279 4BL 0.9063
280 9ZE 0.9062
281 ICO 0.9061
282 LEL 0.9060
283 ASC 0.9059
284 F9Y 0.9059
285 GF4 0.9059
286 DNF 0.9058
287 HIC 0.9058
288 IHB 0.9058
289 6FZ 0.9057
290 6HX 0.9057
291 34D 0.9056
292 ESX 0.9056
293 SE2 0.9055
294 OW7 0.9055
295 PE0 0.9053
296 2HO 0.9053
297 AZ9 0.9053
298 5RO 0.9052
299 J9Q 0.9051
300 HBD 0.9050
301 D48 0.9049
302 4NC 0.9049
303 428 0.9049
304 PBZ 0.9049
305 7Q1 0.9048
306 1AL 0.9047
307 EDR 0.9047
308 OMD 0.9047
309 XQI 0.9044
310 G14 0.9043
311 61M 0.9042
312 IAC 0.9041
313 EWG 0.9040
314 9FE 0.9040
315 AW5 0.9039
316 2HQ 0.9039
317 F9P 0.9039
318 MAJ 0.9037
319 1Y6 0.9036
320 2HG 0.9035
321 492 0.9034
322 DOB 0.9034
323 BP7 0.9032
324 DE5 0.9030
325 JLZ 0.9030
326 5QY 0.9030
327 S2P 0.9030
328 MQN 0.9029
329 FBW 0.9029
330 JB8 0.9028
331 5RN 0.9028
332 OTR 0.9028
333 DBH 0.9027
334 4ZA 0.9026
335 NNO 0.9025
336 XX2 0.9025
337 FA0 0.9025
338 M4E 0.9024
339 3ID 0.9024
340 OVP 0.9023
341 6KT 0.9023
342 8IG 0.9022
343 QSH 0.9022
344 4ME 0.9021
345 DA4 0.9021
346 ICB 0.9021
347 VNL 0.9018
348 MYJ 0.9017
349 XQ0 0.9017
350 GUN 0.9017
351 S2G 0.9016
352 FHB 0.9015
353 JFJ 0.9015
354 M5H 0.9015
355 A5E 0.9011
356 5NU 0.9009
357 5QX 0.9009
358 F4K 0.9009
359 9R5 0.9007
360 4BY 0.9006
361 3ZB 0.9005
362 RD4 0.9004
363 SSC 0.9003
364 FP1 0.9003
365 B4O 0.9002
366 HC4 0.9001
367 A13 0.9000
368 261 0.8999
369 CHB 0.8998
370 4TU 0.8998
371 3HM 0.8997
372 QSB 0.8997
373 4A3 0.8996
374 ZME 0.8996
375 YH7 0.8996
376 4I8 0.8995
377 SN4 0.8994
378 2BX 0.8994
379 EV0 0.8992
380 6HO 0.8992
381 4JT 0.8991
382 H42 0.8990
383 BCU 0.8989
384 5CU 0.8989
385 DHY 0.8989
386 14J 0.8989
387 IV2 0.8988
388 GZL 0.8988
389 2BG 0.8987
390 1P3 0.8984
391 7N0 0.8984
392 XIY 0.8984
393 6VD 0.8983
394 PO6 0.8982
395 FUD 0.8982
396 LNR 0.8981
397 DHI 0.8980
398 2D0 0.8979
399 ODK 0.8979
400 FHC 0.8979
401 A9O 0.8979
402 2K4 0.8978
403 PH3 0.8978
404 2O6 0.8977
405 TYE 0.8977
406 M45 0.8977
407 HFA 0.8976
408 OXC 0.8975
409 UNJ 0.8975
410 4FH 0.8975
411 9UL 0.8974
412 JTH 0.8973
413 TGX 0.8972
414 X0V 0.8972
415 PHE 0.8972
416 DMD 0.8971
417 JA8 0.8971
418 DDU 0.8970
419 5F5 0.8968
420 FQI 0.8968
421 9DG 0.8967
422 0TU 0.8966
423 PH2 0.8966
424 KTW 0.8965
425 DOR 0.8965
426 AS3 0.8964
427 BHA 0.8962
428 4NM 0.8961
429 K48 0.8960
430 7HQ 0.8959
431 4BZ 0.8959
432 3QV 0.8957
433 BPN 0.8957
434 LFQ 0.8954
435 CLZ 0.8954
436 P72 0.8954
437 3HA 0.8954
438 LT2 0.8954
439 F60 0.8952
440 ES0 0.8952
441 RM1 0.8952
442 TSR 0.8950
443 4LW 0.8950
444 45L 0.8949
445 APG 0.8949
446 TIU 0.8948
447 0P6 0.8947
448 HNK 0.8947
449 DGL 0.8945
450 2IT 0.8945
451 DIN 0.8945
452 BGC 0.8945
453 E35 0.8944
454 GO2 0.8943
455 GLU 0.8943
456 5H1 0.8942
457 O2A 0.8940
458 XAN 0.8940
459 VM1 0.8939
460 4LV 0.8939
461 4M0 0.8938
462 7WR 0.8938
463 1M2 0.8936
464 8NB 0.8936
465 RKV 0.8933
466 GLN 0.8933
467 7VS 0.8933
468 GJZ 0.8933
469 4HM 0.8933
470 5MI 0.8932
471 11S 0.8931
472 DHR 0.8931
473 AZA 0.8930
474 TTL 0.8930
475 4AA 0.8929
476 MR1 0.8929
477 14O 0.8928
478 TPA 0.8928
479 6J9 0.8927
480 IFP 0.8927
481 MLT 0.8927
482 AMH 0.8926
483 K5W 0.8925
484 8ZE 0.8924
485 8XL 0.8923
486 XIZ 0.8923
487 CWM 0.8922
488 8CM 0.8919
489 15E 0.8918
490 SAL 0.8918
491 791 0.8918
492 7BC 0.8917
493 DRG 0.8917
494 86J 0.8917
495 VXX 0.8917
496 LDR 0.8915
497 IOS 0.8915
498 GCO 0.8915
499 AA 0.8914
500 56D 0.8914
501 OQC 0.8913
502 7WG 0.8913
503 FK1 0.8912
504 36E 0.8912
505 FK8 0.8911
506 GGL 0.8911
507 6DP 0.8911
508 141 0.8910
509 2UZ 0.8908
510 6GU 0.8908
511 263 0.8907
512 30G 0.8907
513 NAG 0.8906
514 1VK 0.8906
515 BZX 0.8905
516 HL4 0.8903
517 E7S 0.8903
518 C53 0.8902
519 XCZ 0.8901
520 9AP 0.8901
521 SMN 0.8901
522 SRO 0.8901
523 BCP 0.8899
524 0GZ 0.8898
525 KDG 0.8897
526 BQ5 0.8894
527 QPR 0.8893
528 Z82 0.8892
529 H4N 0.8891
530 ZYR 0.8890
531 Q71 0.8890
532 DPN 0.8890
533 BEN 0.8889
534 GJP 0.8888
535 9TZ 0.8887
536 4SX 0.8886
537 8WT 0.8886
538 FGZ 0.8884
539 KUF 0.8883
540 UFV 0.8882
541 CWS 0.8881
542 3LR 0.8881
543 42C 0.8881
544 LPK 0.8880
545 ES9 0.8880
546 3C4 0.8880
547 60L 0.8879
548 D2G 0.8879
549 GV9 0.8879
550 VK3 0.8879
551 GTQ 0.8879
552 A7W 0.8878
553 NDG 0.8878
554 TYR 0.8877
555 717 0.8877
556 B40 0.8875
557 SKM 0.8875
558 5GT 0.8874
559 P9E 0.8874
560 MJ2 0.8874
561 QY9 0.8874
562 OHP 0.8873
563 K80 0.8873
564 5MB 0.8872
565 BOA 0.8871
566 HSO 0.8871
567 2FT 0.8871
568 Q88 0.8870
569 1HN 0.8870
570 3HP 0.8870
571 AJV 0.8868
572 TSS 0.8868
573 AN3 0.8867
574 1XM 0.8867
575 3FH 0.8867
576 HLD 0.8866
577 4XV 0.8866
578 3M0 0.8865
579 4MA 0.8865
580 FCR 0.8865
581 5F8 0.8864
582 OK7 0.8864
583 SYA 0.8864
584 5FL 0.8862
585 5WV 0.8862
586 BEZ 0.8862
587 Q6T 0.8862
588 FOT 0.8862
589 IGA 0.8861
590 LQ2 0.8861
591 IPB 0.8861
592 FBU 0.8860
593 K7M 0.8860
594 AVJ 0.8860
595 N8Y 0.8859
596 CTS 0.8859
597 WOE 0.8858
598 NVU 0.8858
599 ANF 0.8857
600 AC6 0.8857
601 293 0.8857
602 NCD 0.8857
603 M2K 0.8856
604 FE DB1 0.8855
605 JR2 0.8853
606 RAT 0.8852
607 3F0 0.8852
608 GWM 0.8852
609 NID 0.8852
610 SYV 0.8852
611 TH7 0.8852
612 X48 0.8850
613 0LO 0.8849
614 3VQ 0.8849
615 9ON 0.8848
616 OAA 0.8848
617 CTL 0.8848
618 FBJ 0.8848
619 7FF 0.8847
620 4RU 0.8847
621 50C 0.8847
622 ASP 0.8847
623 7W1 0.8846
624 DTY 0.8846
625 EXD 0.8846
626 I3E 0.8846
627 BE2 0.8846
628 PFF 0.8845
629 RNO 0.8844
630 7MX 0.8844
631 ROI 0.8843
632 MO8 0.8841
633 M1E 0.8841
634 NIO 0.8841
635 209 0.8840
636 SBK 0.8840
637 8NY 0.8839
638 IJZ 0.8838
639 RJY 0.8837
640 M4S 0.8836
641 AMQ 0.8836
642 XYL 0.8835
643 RB5 0.8835
644 HHR 0.8835
645 FLC 0.8835
646 826 0.8834
647 SD4 0.8834
648 EUG 0.8834
649 BAM 0.8834
650 MOK 0.8834
651 A2F 0.8833
652 AJY 0.8833
653 S0E 0.8833
654 AL0 0.8832
655 ALA ALA 0.8832
656 QWN 0.8831
657 BK9 0.8831
658 C82 0.8830
659 EKZ 0.8829
660 RMN 0.8829
661 VOH 0.8827
662 H5B 0.8827
663 MQB 0.8827
664 152 0.8826
665 UNU 0.8826
666 AHN 0.8825
667 XRG 0.8823
668 7W4 0.8823
669 MRW 0.8823
670 HH5 0.8823
671 R1P 0.8823
672 NGT 0.8822
673 NCA 0.8821
674 TIH 0.8821
675 PBA 0.8821
676 6AP 0.8820
677 NDH 0.8820
678 4FF 0.8820
679 2A9 0.8820
680 1P7 0.8819
681 5RG 0.8818
682 GZ2 0.8818
683 SOR 0.8818
684 MZM 0.8817
685 QXW 0.8817
686 6PC 0.8817
687 3PG 0.8816
688 PBC 0.8815
689 X0W 0.8814
690 DX3 0.8814
691 ES7 0.8813
692 GRO 0.8813
693 9FH 0.8813
694 CKA 0.8812
695 4J8 0.8812
696 E7Z 0.8811
697 DS0 0.8811
698 HCI 0.8810
699 0A9 0.8810
700 HQT 0.8810
701 LYS 0.8810
702 DNC 0.8809
703 PSJ 0.8809
704 NQ 0.8809
705 ISN 0.8809
706 174 0.8809
707 54G 0.8809
708 XBT 0.8809
709 1Z8 0.8809
710 THA 0.8807
711 ZZA 0.8807
712 FEH 0.8806
713 YRL 0.8806
714 4XS 0.8806
715 TSU 0.8806
716 54E 0.8806
717 BNF 0.8805
718 CFP 0.8804
719 RXA 0.8804
720 AZG 0.8803
721 SW7 0.8803
722 1DV 0.8803
723 3QM 0.8803
724 SKA 0.8802
725 CIT 0.8801
726 3HG 0.8800
727 X11 0.8799
728 H4E 0.8799
729 QMP 0.8799
730 AEF 0.8799
731 0W8 0.8798
732 DEW 0.8797
733 DEE 0.8797
734 L03 0.8797
735 KOJ 0.8797
736 B5D 0.8797
737 DX4 0.8796
738 4VY 0.8796
739 NFM 0.8795
740 1LQ 0.8795
741 MNP 0.8795
742 KMY 0.8795
743 4NB 0.8794
744 STT 0.8794
745 PQ0 0.8793
746 DNA 0.8793
747 FBS 0.8792
748 HPS 0.8790
749 P80 0.8790
750 5B1 0.8789
751 KMH 0.8789
752 PZA 0.8789
753 INE 0.8788
754 X6P 0.8788
755 259 0.8786
756 URO 0.8785
757 268 0.8785
758 TAG 0.8784
759 SDD 0.8784
760 LL1 0.8784
761 FB1 0.8784
762 8HC 0.8783
763 39O 0.8783
764 7UC 0.8783
765 NFA 0.8783
766 RNT 0.8782
767 0FK 0.8782
768 TZL 0.8782
769 JKE 0.8782
770 ZBT 0.8782
771 XX3 0.8781
772 6ZX 0.8781
773 7NI 0.8780
774 7ZE 0.8777
775 A3M 0.8776
776 5M0 0.8775
777 B1J 0.8775
778 3SK 0.8774
779 2LP 0.8773
780 12Q 0.8772
781 1SQ 0.8771
782 HHA 0.8770
783 SAN 0.8770
784 SNO 0.8769
785 ABV 0.8769
786 JP2 0.8769
787 H33 0.8768
788 5LA 0.8768
789 LDP 0.8768
790 MNN 0.8768
791 KKN 0.8766
792 6BL 0.8766
793 TCA 0.8766
794 N9J 0.8765
795 78Y 0.8765
796 PRA 0.8765
797 FBV 0.8765
798 28N 0.8765
799 ONL 0.8764
800 OKG 0.8763
801 AOS 0.8763
802 NGW 0.8762
803 AVA 0.8762
804 L1T 0.8761
805 DZA 0.8761
806 PRF 0.8761
807 GVY 0.8760
808 M6Z 0.8759
809 HL5 0.8759
810 5WY 0.8759
811 A7N 0.8758
812 BPU 0.8758
813 PQK 0.8758
814 3YP 0.8758
815 3DM 0.8758
816 1QP 0.8757
817 CXF 0.8756
818 CXH 0.8755
819 27B 0.8755
820 9RW 0.8754
821 E0O 0.8754
822 54X 0.8753
823 6OT 0.8751
824 4JC 0.8751
825 535 0.8750
826 M6W 0.8750
827 PUE 0.8749
828 24W 0.8749
829 Q02 0.8749
830 XLS 0.8748
831 FYU 0.8747
832 XCG 0.8747
833 1SA 0.8747
834 GT4 0.8746
835 M1A 0.8746
836 E4P 0.8745
837 LMR 0.8745
838 5OO 0.8744
839 SKF 0.8743
840 2QC 0.8743
841 PEP 0.8743
842 GLY GLY 0.8742
843 4Z4 0.8742
844 AX7 0.8742
845 NIG 0.8741
846 0XT 0.8741
847 YZM 0.8741
848 W81 0.8741
849 FAN 0.8740
850 EVF 0.8737
851 BPS 0.8736
852 EGR 0.8736
853 5MK 0.8735
854 ES6 0.8735
855 36M 0.8734
856 U7E 0.8734
857 6AI 0.8733
858 TZM 0.8733
859 SX1 0.8733
860 9MG 0.8733
861 MEQ 0.8732
862 9KT 0.8731
863 HHS 0.8730
864 89J 0.8730
865 8GL 0.8729
866 290 0.8729
867 APZ 0.8728
868 AAS 0.8728
869 PFL 0.8728
870 7UZ 0.8728
871 3CR 0.8727
872 AMS 0.8727
873 HJP 0.8724
874 7QD 0.8724
875 QMS 0.8724
876 AKH 0.8723
877 DCZ 0.8723
878 6M9 0.8723
879 KBB 0.8723
880 13P 0.8723
881 TEO 0.8722
882 GTC 0.8721
883 B2J 0.8721
884 LYL 0.8720
885 8W9 0.8720
886 X0U 0.8719
887 K32 0.8719
888 6FB 0.8719
889 2MI 0.8718
890 7WV 0.8717
891 BNS 0.8717
892 UAN 0.8716
893 1DJ 0.8716
894 5DL 0.8714
895 8K2 0.8714
896 NSG 0.8713
897 N5J 0.8712
898 5WZ 0.8710
899 270 0.8710
900 NTN 0.8710
901 F52 0.8710
902 3MF 0.8710
903 BQ2 0.8709
904 X1R 0.8708
905 3U4 0.8708
906 X05 0.8707
907 PEA 0.8707
908 2ZQ 0.8705
909 9RH 0.8705
910 F16 0.8704
911 DIU 0.8703
912 67N 0.8703
913 GUA 0.8700
914 DAL DAL 0.8699
915 42J 0.8699
916 3BU 0.8698
917 692 0.8697
918 XDE 0.8697
919 JB5 0.8696
920 5TZ 0.8695
921 AIN 0.8695
922 SC2 0.8695
923 EMZ 0.8693
924 SR1 0.8693
925 MXN 0.8692
926 3C5 0.8689
927 VGL 0.8689
928 UNC 0.8688
929 L14 0.8687
930 NLA 0.8687
931 NLE 0.8687
932 NGO 0.8684
933 7I2 0.8684
934 7B3 0.8684
935 GXY 0.8684
936 CLU 0.8683
937 SQ7 0.8683
938 C2U 0.8683
939 1KP 0.8683
940 URS 0.8683
941 TTY 0.8683
942 MAQ 0.8682
943 NGA 0.8682
944 HBA 0.8682
945 BSX 0.8678
946 HF2 0.8678
947 EUE 0.8678
948 505 0.8677
949 II6 0.8677
950 OTD 0.8677
951 U2Z 0.8677
952 TXW 0.8676
953 ZZ3 0.8676
954 2PG 0.8676
955 MAH 0.8675
956 DBX 0.8675
957 EYK 0.8675
958 8H8 0.8674
959 ORN 0.8673
960 SYM 0.8672
961 0CU 0.8671
962 SDF 0.8670
963 091 0.8670
964 49N 0.8670
965 3R6 0.8668
966 GLO 0.8667
967 M1H 0.8667
968 AUV 0.8666
969 OA1 0.8666
970 PRO GLY 0.8665
971 EOU 0.8664
972 FBF 0.8664
973 7MW 0.8662
974 AMR 0.8662
975 G3P 0.8662
976 258 0.8661
977 PGH 0.8661
978 3AE 0.8660
979 CSN 0.8660
980 V1T 0.8659
981 DBJ 0.8659
982 FMQ 0.8657
983 B2T 0.8654
984 ALE 0.8654
985 BRH 0.8654
986 GZ3 0.8654
987 PTU 0.8652
988 FZM 0.8649
989 3Y7 0.8646
990 ASN 0.8646
991 RNS 0.8644
992 B57 0.8644
993 6R8 0.8643
994 SEP 0.8642
995 264 0.8641
996 LTL 0.8641
997 AC0 0.8640
998 DIR 0.8640
999 HJ7 0.8640
1000 TB8 0.8640
1001 HG3 0.8639
1002 S2T 0.8639
1003 FDB 0.8638
1004 G3H 0.8637
1005 SRT 0.8637
1006 82I 0.8637
1007 A1Y 0.8635
1008 HKD 0.8634
1009 MHK 0.8632
1010 LJ3 0.8630
1011 9X5 0.8630
1012 FCD 0.8629
1013 4KL 0.8628
1014 V55 0.8628
1015 2GQ 0.8628
1016 UN1 0.8627
1017 6CS 0.8627
1018 ZZZ 0.8626
1019 XUL 0.8625
1020 PXL 0.8623
1021 RBL 0.8621
1022 B85 0.8621
1023 EOL 0.8620
1024 KP6 0.8620
1025 K82 0.8619
1026 R9Y 0.8619
1027 8MO 0.8619
1028 MWP 0.8618
1029 SXS 0.8616
1030 F0J 0.8615
1031 4SV 0.8615
1032 2KA 0.8615
1033 TRP 0.8615
1034 S7J 0.8614
1035 DUR 0.8613
1036 XI7 0.8613
1037 I4B 0.8612
1038 P92 0.8611
1039 AZM 0.8610
1040 N4E 0.8606
1041 4A5 0.8606
1042 7B4 0.8605
1043 8U3 0.8602
1044 B60 0.8600
1045 P84 0.8600
1046 THU 0.8599
1047 HBO 0.8597
1048 DJN 0.8595
1049 ZXD 0.8594
1050 TEP 0.8592
1051 5LD 0.8591
1052 GP9 0.8590
1053 XXG 0.8585
1054 MP5 0.8584
1055 UFO 0.8584
1056 TVP 0.8584
1057 A2G 0.8584
1058 1FF 0.8581
1059 M2H 0.8580
1060 NYL 0.8579
1061 3VX 0.8578
1062 CTV 0.8578
1063 M3E 0.8578
1064 TJM 0.8575
1065 F2W 0.8568
1066 CFF 0.8565
1067 LTT 0.8563
1068 HSX 0.8563
1069 W29 0.8561
1070 6M4 0.8560
1071 COI 0.8560
1072 68A 0.8559
1073 FWD 0.8559
1074 S7S 0.8556
1075 39U 0.8555
1076 NLG 0.8555
1077 X09 0.8550
1078 R8V 0.8549
1079 15L 0.8546
1080 OA3 0.8545
1081 49F 0.8540
1082 4NZ 0.8538
1083 K4V 0.8536
1084 LAO 0.8529
1085 PPT 0.8528
1086 TAR 0.8528
1087 8XQ 0.8525
1088 FIX 0.8523
1089 PLP 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HVJ; Ligand: 705; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 3hvj.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5KVA SAM 27.3381
2 5KVA SAM 27.3381
3 6JCL SAH 27.6018
4 6JCL SAH 27.6018
5 6JCL SAH 27.6018
6 6JCL SAH 27.6018
7 5N5D SAM 29.646
8 5N5D SAM 29.646
9 2HNK SAH 33.8912
10 2HNK SAH 33.8912
Pocket No.: 2; Query (leader) PDB : 3HVJ; Ligand: 705; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 3hvj.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 6JCL SAH 27.6018
2 6JCL SAH 27.6018
3 6JCL SAH 27.6018
4 6JCL SAH 27.6018
5 6JCL SAH 27.6018
6 6JCL SAH 27.6018
7 5LOG SAH 29.4118
8 5N5D SAM 29.646
9 5N5D SAM 29.646
10 3CBG SAH 32.1267
11 3DUW SAH 32.5792
12 3DUW SAH 32.5792
13 2HNK SAH 33.8912
14 2HNK SAH 33.8912
15 2HNK SAH 33.8912
16 4YMH SAH 38.009
17 4YMH SAH 38.009
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