Receptor
PDB id Resolution Class Description Source Keywords
4C5W 1.7 Å EC: 1.14.11.1 THREE DIMENSIONAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE HYD IN COMPLEX WITH 4-(ETHYLDIMETHYLAMMONIO)BUTANOATE HOMO SAPIENS OXIDOREDUCTASE
Ref.: TARGETING CARNITINE BIOSYNTHESIS: DISCOVERY OF NEW INHIBITORS AGAINST GAMMA-BUTYROBETAINE HYDROXYLASE. J.MED.CHEM. V. 57 2213 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:403;
A:405;
A:402;
A:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
NM3 A:401;
Valid;
none;
ic50 = 3.3 uM
160.234 C8 H18 N O2 CC[N+...
OGA A:400;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
16D A:406;
Invalid;
none;
submit data
116.205 C6 H16 N2 C(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BG1 1.89 Å EC: 1.14.11.1 THREE DIMENSIONAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE HYD IN COMPLEX WITH 1-(3-CARBOXYPROPYL)-1-METHYLPYRROLIDIN-1-IU HOMO SAPIENS OXIDOREDUCTASE GAMMA-BUTYROBETAINE HYDROXYLASE GAMMA-BBH BUTYROBETAINE 2-OXOGLUTARATE DIOXYGENASE
Ref.: TARGETING CARNITINE BIOSYNTHESIS: DISCOVERY OF NEW INHIBITORS AGAINST GAMMA-BUTYROBETAINE HYDROXYLASE. J.MED.CHEM. V. 57 2213 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4BGK ic50 = 0.52 uM RTK C6 H17 N O2 P C[N+](C)(C....
2 4BHF Kd = 4.1 uM MZT C8 H18 N O2 C[C@H](CCC....
3 4CWD - OGA C4 H5 N O5 C(C(=O)O)N....
4 4BG1 ic50 = 0.49 uM IVL C9 H18 N O2 C[N+]1(CCC....
5 4C5W ic50 = 3.3 uM NM3 C8 H18 N O2 CC[N+](C)(....
6 4BGM ic50 = 0.61 uM DLT C8 H17 F N O2 C[N+](C)(C....
7 4BHI Kd = 9.3 uM RUJ C7 H17 N2 O2 CN(CCC(=O)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4BGK ic50 = 0.52 uM RTK C6 H17 N O2 P C[N+](C)(C....
2 4BHF Kd = 4.1 uM MZT C8 H18 N O2 C[C@H](CCC....
3 4CWD - OGA C4 H5 N O5 C(C(=O)O)N....
4 4BG1 ic50 = 0.49 uM IVL C9 H18 N O2 C[N+]1(CCC....
5 4C5W ic50 = 3.3 uM NM3 C8 H18 N O2 CC[N+](C)(....
6 4BGM ic50 = 0.61 uM DLT C8 H17 F N O2 C[N+](C)(C....
7 4BHI Kd = 9.3 uM RUJ C7 H17 N2 O2 CN(CCC(=O)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4BGK ic50 = 0.52 uM RTK C6 H17 N O2 P C[N+](C)(C....
2 4BHF Kd = 4.1 uM MZT C8 H18 N O2 C[C@H](CCC....
3 4CWD - OGA C4 H5 N O5 C(C(=O)O)N....
4 4BG1 ic50 = 0.49 uM IVL C9 H18 N O2 C[N+]1(CCC....
5 4C5W ic50 = 3.3 uM NM3 C8 H18 N O2 CC[N+](C)(....
6 4BGM ic50 = 0.61 uM DLT C8 H17 F N O2 C[N+](C)(C....
7 4BHI Kd = 9.3 uM RUJ C7 H17 N2 O2 CN(CCC(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NM3; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NM3 1 1
2 DLT 0.571429 0.9
3 NM2 0.548387 0.921053
Ligand no: 2; Ligand: OGA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OGA 1 1
2 AAC 0.461538 0.827586
Similar Ligands (3D)
Ligand no: 1; Ligand: NM3; Similar ligands found: 235
No: Ligand Similarity coefficient
1 CHH 1.0000
2 3S5 0.9905
3 CCE 0.9841
4 GPJ 0.9834
5 CCD 0.9816
6 GPF 0.9794
7 AT3 0.9792
8 4LR 0.9715
9 RTK 0.9714
10 IP8 0.9631
11 GUA 0.9613
12 PEP 0.9603
13 152 0.9553
14 MZT 0.9531
15 13P 0.9525
16 PC 0.9508
17 1SA 0.9490
18 HPV 0.9486
19 SEP 0.9460
20 G3H 0.9438
21 OSE 0.9429
22 NSB 0.9418
23 PGA 0.9417
24 GVM 0.9410
25 DHM 0.9388
26 3PG 0.9384
27 PGH 0.9384
28 MSL 0.9381
29 OEG 0.9368
30 GP9 0.9365
31 URP 0.9363
32 LTL 0.9348
33 0VT 0.9338
34 G3P 0.9333
35 QFJ 0.9316
36 URO 0.9311
37 AKG 0.9310
38 HG3 0.9309
39 RUJ 0.9298
40 S2G 0.9285
41 OGA 0.9283
42 TSU 0.9273
43 2HG 0.9258
44 2IT 0.9248
45 GLN 0.9246
46 9GB 0.9222
47 PEQ 0.9220
48 SAN 0.9220
49 GLU 0.9211
50 ALA ALA 0.9208
51 X1S 0.9207
52 1GP 0.9204
53 129 0.9199
54 GZ3 0.9191
55 3PP 0.9180
56 NLP 0.9172
57 AMS 0.9169
58 DGL 0.9168
59 E4P 0.9167
60 650 0.9137
61 KMH 0.9136
62 4J8 0.9127
63 LUQ 0.9120
64 B85 0.9109
65 SHV 0.9103
66 0V5 0.9101
67 DGN 0.9100
68 IVL 0.9098
69 QMP 0.9091
70 PPR 0.9088
71 ONL 0.9084
72 OAA 0.9078
73 LEU 0.9077
74 KVP 0.9076
75 3HG 0.9076
76 GGL 0.9072
77 7BC 0.9070
78 CCU 0.9069
79 GLY GLY 0.9068
80 FOM 0.9067
81 3SL 0.9060
82 3YP 0.9055
83 OPE 0.9053
84 MPH 0.9047
85 PMB 0.9044
86 MHO 0.9038
87 HIS 0.9038
88 UN1 0.9037
89 COI 0.9036
90 SME 0.9034
91 FBS 0.9032
92 VKC 0.9031
93 SIN 0.9029
94 DAV 0.9016
95 11C 0.9014
96 HPS 0.9008
97 DHI 0.9007
98 FB2 0.9006
99 KQY 0.9001
100 NLE 0.9000
101 AAS 0.8997
102 KVV 0.8992
103 FCR 0.8991
104 BHU 0.8983
105 AG2 0.8974
106 OKG 0.8967
107 S8V 0.8965
108 9ON 0.8959
109 N6C 0.8957
110 ORN 0.8957
111 LMR 0.8954
112 DZA 0.8952
113 6NA 0.8949
114 SPA 0.8946
115 PMF 0.8935
116 ASP 0.8930
117 DAL DAL 0.8928
118 LYS 0.8927
119 R67 0.8924
120 PAC 0.8923
121 DIR 0.8920
122 1X4 0.8918
123 MLT 0.8917
124 0L1 0.8913
125 7OD 0.8912
126 HTX 0.8911
127 HPN 0.8909
128 AHN 0.8905
129 PLU 0.8901
130 HX2 0.8900
131 M45 0.8889
132 HGA 0.8888
133 M4S 0.8888
134 AL0 0.8880
135 ACA 0.8880
136 3OL 0.8877
137 HSO 0.8875
138 FUM 0.8873
139 MHN 0.8866
140 R9M 0.8864
141 5XB 0.8859
142 SYC 0.8856
143 Q9Z 0.8852
144 49F 0.8850
145 HHI 0.8845
146 16D 0.8843
147 JYD 0.8843
148 S7A 0.8840
149 A20 0.8840
150 5XA 0.8838
151 HL5 0.8835
152 SMN 0.8828
153 3LR 0.8819
154 SD4 0.8816
155 KPC 0.8805
156 TIH 0.8797
157 MET 0.8795
158 8OZ 0.8791
159 2BX 0.8790
160 BHH 0.8789
161 OOG 0.8787
162 SHO 0.8784
163 CXP 0.8782
164 FK8 0.8780
165 PO6 0.8774
166 ASN 0.8773
167 PHU 0.8773
168 QY9 0.8773
169 173 0.8770
170 A3M 0.8769
171 SYM 0.8756
172 PIM 0.8756
173 MF3 0.8754
174 DE5 0.8752
175 SHF 0.8749
176 K6V 0.8746
177 MAH 0.8744
178 9RW 0.8743
179 GJZ 0.8738
180 OK7 0.8735
181 M4T 0.8732
182 MUC 0.8730
183 NF3 0.8729
184 GRO 0.8728
185 PHE 0.8725
186 RAT 0.8723
187 N9J 0.8720
188 TPO 0.8713
189 ONH 0.8713
190 4MV 0.8713
191 MES 0.8710
192 A09 0.8708
193 IXW 0.8708
194 LYN 0.8703
195 GTK 0.8696
196 DER 0.8692
197 PG0 0.8691
198 4JC 0.8689
199 DLY 0.8689
200 1BN 0.8689
201 4SX 0.8686
202 B40 0.8685
203 MEQ 0.8683
204 449 0.8682
205 2FT 0.8679
206 M6H 0.8677
207 DPN 0.8676
208 2RH 0.8669
209 DXP 0.8653
210 2FM 0.8651
211 J0Z 0.8650
212 HDH 0.8650
213 SOL 0.8648
214 I4B 0.8643
215 PIY 0.8638
216 SPV 0.8638
217 DEZ 0.8631
218 SHI 0.8626
219 O45 0.8617
220 OCT 0.8616
221 PPY 0.8611
222 GOJ 0.8605
223 HFA 0.8604
224 HF2 0.8597
225 HE2 0.8592
226 GWM 0.8576
227 ICF 0.8572
228 Q03 0.8570
229 TAG 0.8564
230 ARG 0.8562
231 RP3 0.8549
232 KTA 0.8545
233 PBA 0.8529
234 DYA 0.8526
235 41K 0.8511
Ligand no: 2; Ligand: OGA; Similar ligands found: 1047
No: Ligand Similarity coefficient
1 AKG 1.0000
2 S2G 1.0000
3 2HG 1.0000
4 GLN 1.0000
5 ZGL 0.9984
6 GLU 0.9956
7 DGN 0.9943
8 2IT 0.9938
9 DGL 0.9938
10 GGL 0.9926
11 ONL 0.9910
12 9ON 0.9875
13 MHO 0.9798
14 PAC 0.9758
15 GUA 0.9739
16 PHU 0.9738
17 DHI 0.9735
18 HHI 0.9735
19 SME 0.9731
20 GLY GLY 0.9728
21 OEG 0.9723
22 M4T 0.9703
23 ORN 0.9692
24 OKG 0.9668
25 OSE 0.9667
26 NLE 0.9664
27 URO 0.9664
28 2FT 0.9661
29 SEP 0.9646
30 HGA 0.9639
31 3LR 0.9639
32 0VT 0.9634
33 HG3 0.9631
34 8GL 0.9627
35 TYL 0.9622
36 0L1 0.9615
37 RUJ 0.9610
38 3PG 0.9601
39 OK7 0.9601
40 7OD 0.9596
41 MET 0.9594
42 DAL DAL 0.9593
43 TIH 0.9591
44 LYS 0.9591
45 HL5 0.9585
46 49F 0.9581
47 5XB 0.9575
48 NF3 0.9573
49 M45 0.9567
50 HIS 0.9567
51 DIR 0.9566
52 ALA ALA 0.9566
53 DLY 0.9558
54 SYM 0.9557
55 TCA 0.9556
56 M3H 0.9548
57 AL0 0.9543
58 PO6 0.9542
59 URP 0.9535
60 3HG 0.9534
61 BHU 0.9532
62 LYN 0.9531
63 7C3 0.9522
64 I4B 0.9514
65 AHN 0.9509
66 MZT 0.9509
67 KMT 0.9501
68 2CO 0.9495
69 EOU 0.9494
70 O45 0.9493
71 KMH 0.9486
72 268 0.9483
73 HPV 0.9478
74 J0Z 0.9474
75 PIM 0.9468
76 DE5 0.9466
77 CUW 0.9465
78 DZA 0.9462
79 MSL 0.9458
80 OAA 0.9456
81 B40 0.9452
82 PIY 0.9444
83 SSC 0.9443
84 URS 0.9443
85 MED 0.9441
86 FK8 0.9437
87 XIZ 0.9436
88 MSE 0.9435
89 173 0.9434
90 PHE 0.9427
91 N6C 0.9424
92 J9N 0.9423
93 BNF 0.9422
94 4HP 0.9421
95 PRA 0.9417
96 SD4 0.9417
97 S8V 0.9416
98 AEG 0.9415
99 0HN 0.9412
100 HCI 0.9407
101 MUC 0.9404
102 MSR 0.9402
103 258 0.9401
104 GPJ 0.9399
105 IXW 0.9397
106 QY9 0.9397
107 KDG 0.9392
108 11C 0.9391
109 LEU 0.9390
110 ONH 0.9389
111 DHY 0.9383
112 CXF 0.9380
113 2HU 0.9377
114 R2P 0.9376
115 8EW 0.9374
116 6NT 0.9374
117 GPF 0.9374
118 R9M 0.9372
119 NYL 0.9370
120 264 0.9370
121 INO 0.9367
122 PSE 0.9367
123 2ZM 0.9366
124 GJZ 0.9364
125 JAW 0.9364
126 3A9 0.9363
127 HSO 0.9362
128 5NI 0.9362
129 4P5 0.9360
130 1F1 0.9360
131 2HC 0.9360
132 K34 0.9359
133 SNU 0.9358
134 6TZ 0.9357
135 I38 0.9356
136 4WL 0.9356
137 3NY 0.9355
138 7BC 0.9355
139 PRO GLY 0.9352
140 9J3 0.9351
141 ABI 0.9351
142 97T 0.9350
143 KQY 0.9350
144 6NI 0.9349
145 3QM 0.9349
146 3S5 0.9347
147 ACA 0.9346
148 0HO 0.9346
149 4FA 0.9345
150 A29 0.9344
151 JB8 0.9342
152 PEA 0.9342
153 QMP 0.9341
154 TZF 0.9341
155 J9Q 0.9340
156 1GP 0.9340
157 A5E 0.9339
158 UN1 0.9339
159 PZI 0.9339
160 CPZ 0.9338
161 MHN 0.9335
162 3AL 0.9335
163 TIU 0.9334
164 GOJ 0.9332
165 JDN 0.9328
166 MEQ 0.9324
167 LMR 0.9323
168 4ZA 0.9323
169 R20 0.9322
170 HPN 0.9322
171 650 0.9321
172 CXP 0.9320
173 DYT 0.9317
174 E4P 0.9317
175 FHB 0.9314
176 NM2 0.9312
177 CHH 0.9311
178 CCD 0.9311
179 JZ7 0.9307
180 XRG 0.9307
181 DHB 0.9306
182 NNO 0.9305
183 Q9Z 0.9304
184 LTL 0.9304
185 ASN 0.9300
186 OOG 0.9299
187 SHV 0.9298
188 C1M 0.9298
189 K7M 0.9298
190 7WG 0.9297
191 HC4 0.9293
192 2AL 0.9289
193 HDH 0.9286
194 PD2 0.9286
195 AG2 0.9286
196 CFI 0.9285
197 52C 0.9284
198 NM3 0.9283
199 BHH 0.9282
200 YRL 0.9282
201 152 0.9281
202 L5V 0.9281
203 HPS 0.9278
204 ASP 0.9278
205 S2P 0.9277
206 R9S 0.9277
207 7UC 0.9276
208 HHH 0.9276
209 RAT 0.9275
210 FAN 0.9275
211 AOT 0.9274
212 2RH 0.9274
213 9YT 0.9270
214 MLT 0.9269
215 HX4 0.9268
216 CCE 0.9268
217 8OZ 0.9268
218 NCT 0.9267
219 HQJ 0.9262
220 G3H 0.9261
221 GP9 0.9261
222 LUQ 0.9261
223 PG3 0.9258
224 LFC 0.9255
225 4PN 0.9255
226 41K 0.9252
227 COI 0.9251
228 2BX 0.9251
229 1L5 0.9249
230 7VP 0.9248
231 G3P 0.9248
232 DHM 0.9247
233 SHO 0.9246
234 PH3 0.9246
235 NLP 0.9246
236 3C4 0.9246
237 4A3 0.9245
238 PHB 0.9244
239 SRT 0.9243
240 PGH 0.9242
241 MPJ 0.9241
242 IP8 0.9241
243 069 0.9240
244 13P 0.9240
245 ISZ 0.9240
246 N2Z 0.9238
247 RUY 0.9238
248 GVM 0.9237
249 9RW 0.9236
250 GZ3 0.9236
251 LNR 0.9235
252 GAB 0.9235
253 FUM 0.9235
254 BHO 0.9234
255 PPY 0.9234
256 DHS 0.9233
257 NVA 0.9231
258 6NA 0.9231
259 NIZ 0.9230
260 M6H 0.9230
261 J9T 0.9229
262 JLZ 0.9229
263 BZ3 0.9229
264 UGC 0.9229
265 SHI 0.9229
266 36Y 0.9228
267 TPA 0.9228
268 GLY ALA 0.9228
269 GVG 0.9228
270 3HM 0.9227
271 ESX 0.9226
272 SMN 0.9226
273 FEH 0.9225
274 2F6 0.9224
275 N4B 0.9223
276 PG0 0.9223
277 ICB 0.9223
278 SPA 0.9223
279 PAB 0.9223
280 3SL 0.9222
281 BZ2 0.9221
282 SYC 0.9216
283 3OM 0.9215
284 6FZ 0.9214
285 4NC 0.9213
286 BNL 0.9212
287 VKC 0.9212
288 3HP 0.9210
289 B85 0.9209
290 P72 0.9209
291 NPO 0.9208
292 CYX 0.9207
293 263 0.9207
294 TZE 0.9207
295 M3P 0.9205
296 129 0.9204
297 4LW 0.9204
298 L99 0.9203
299 CHB 0.9203
300 OTR 0.9203
301 CCU 0.9202
302 DAV 0.9201
303 RJY 0.9201
304 PMF 0.9199
305 SSB 0.9199
306 RBJ 0.9198
307 ESP 0.9198
308 JF6 0.9198
309 RNT 0.9198
310 0BP 0.9197
311 IHB 0.9197
312 DI6 0.9194
313 TLA 0.9194
314 F4E 0.9191
315 5OB 0.9191
316 93K 0.9190
317 HSM 0.9189
318 PEP 0.9188
319 KTA 0.9188
320 9SE 0.9187
321 8G0 0.9186
322 IWT 0.9186
323 TYE 0.9185
324 TYR 0.9184
325 4LR 0.9184
326 GWM 0.9183
327 PDC 0.9182
328 SIN 0.9182
329 FP1 0.9182
330 92K 0.9181
331 2HO 0.9180
332 DYA 0.9179
333 7A8 0.9178
334 MPV 0.9178
335 PBZ 0.9177
336 3OL 0.9176
337 3MB 0.9175
338 LDP 0.9172
339 PBA 0.9170
340 RTK 0.9170
341 HTX 0.9169
342 PPR 0.9169
343 FBJ 0.9168
344 IZC 0.9167
345 XYH 0.9165
346 FBB 0.9165
347 9TW 0.9164
348 AEF 0.9162
349 GCO 0.9162
350 MYJ 0.9160
351 I1E 0.9159
352 JFJ 0.9159
353 7N0 0.9158
354 OVM 0.9158
355 HBD 0.9156
356 8SZ 0.9153
357 XX2 0.9151
358 4MA 0.9151
359 SW7 0.9151
360 P7Y 0.9150
361 HSE 0.9149
362 DS0 0.9149
363 2D8 0.9149
364 5XA 0.9145
365 69O 0.9144
366 E5X 0.9144
367 TZL 0.9144
368 RNS 0.9143
369 1Y6 0.9143
370 54D 0.9142
371 IOM 0.9142
372 CRN 0.9142
373 AC6 0.9141
374 NFA 0.9141
375 YZM 0.9140
376 HA5 0.9139
377 3YP 0.9139
378 AT3 0.9138
379 XDK 0.9138
380 45L 0.9136
381 826 0.9136
382 40E 0.9136
383 4TB 0.9136
384 HX2 0.9135
385 717 0.9134
386 92P 0.9134
387 P9P 0.9133
388 DII 0.9133
389 AMQ 0.9130
390 HDA 0.9130
391 23J 0.9128
392 CH9 0.9128
393 K2T 0.9127
394 HIC 0.9126
395 CXH 0.9126
396 AFS 0.9120
397 SDD 0.9120
398 C5A 0.9118
399 QSB 0.9118
400 HCS 0.9116
401 FBM 0.9116
402 5XC 0.9115
403 HFA 0.9115
404 2BG 0.9112
405 OMD 0.9112
406 JYD 0.9111
407 FOC 0.9110
408 N9J 0.9110
409 3HB 0.9108
410 GZ2 0.9107
411 Q06 0.9107
412 OVV 0.9105
413 XLS 0.9104
414 R67 0.9104
415 SHA 0.9100
416 OW7 0.9100
417 RD4 0.9100
418 C2Y 0.9099
419 M6W 0.9098
420 8U3 0.9097
421 1X4 0.9097
422 4LV 0.9096
423 7MU 0.9093
424 SHF 0.9091
425 5WZ 0.9090
426 4V2 0.9090
427 7O4 0.9090
428 1BN 0.9090
429 Q02 0.9088
430 HY1 0.9087
431 GO2 0.9087
432 PEL 0.9086
433 9FE 0.9086
434 RSO 0.9086
435 61M 0.9085
436 ANN 0.9083
437 0JD 0.9082
438 8XL 0.9082
439 XBT 0.9081
440 P81 0.9081
441 GRO 0.9081
442 DHR 0.9080
443 BSX 0.9080
444 NCA 0.9080
445 OCT 0.9078
446 PEQ 0.9076
447 271 0.9075
448 6XA 0.9074
449 Q03 0.9072
450 RMN 0.9071
451 1SH 0.9069
452 OHJ 0.9068
453 2LP 0.9068
454 HF2 0.9067
455 LT1 0.9067
456 L22 0.9067
457 PJW 0.9066
458 3AB 0.9064
459 MPH 0.9061
460 94W 0.9060
461 MAJ 0.9059
462 BEZ 0.9059
463 E1T 0.9058
464 42J 0.9057
465 261 0.9057
466 XYL 0.9055
467 RB5 0.9055
468 TAR 0.9054
469 F9P 0.9053
470 ICO 0.9053
471 AMS 0.9052
472 1AL 0.9051
473 PRY 0.9051
474 AX7 0.9051
475 NSD 0.9051
476 ZBT 0.9050
477 4MV 0.9049
478 NFM 0.9047
479 PC 0.9047
480 M4E 0.9044
481 P80 0.9044
482 1LN 0.9042
483 4JT 0.9041
484 174 0.9041
485 DPN 0.9040
486 PBN 0.9040
487 0OC 0.9039
488 1M2 0.9039
489 PKU 0.9038
490 OW4 0.9037
491 MAH 0.9037
492 PGA 0.9037
493 15N 0.9036
494 SAF 0.9036
495 VNL 0.9035
496 FOM 0.9035
497 8NB 0.9035
498 HL4 0.9034
499 SPV 0.9034
500 FQI 0.9032
501 C82 0.9031
502 M5E 0.9030
503 HDL 0.9030
504 HNH 0.9030
505 JZ4 0.9029
506 1A7 0.9028
507 SOR 0.9028
508 XIY 0.9027
509 QUS 0.9027
510 SLS 0.9027
511 APG 0.9027
512 1Z6 0.9027
513 1SA 0.9026
514 16D 0.9025
515 KTJ 0.9025
516 AMH 0.9023
517 ENV 0.9021
518 TGX 0.9021
519 X0V 0.9020
520 Z82 0.9020
521 TT4 0.9019
522 5LA 0.9019
523 JRB 0.9017
524 F9Y 0.9017
525 4CS 0.9016
526 GDE 0.9013
527 5HN 0.9011
528 9X7 0.9010
529 YPN 0.9010
530 3OC 0.9010
531 DER 0.9009
532 4BZ 0.9009
533 GLO 0.9008
534 5RN 0.9008
535 2LY 0.9008
536 PNZ 0.9008
537 E79 0.9007
538 OVP 0.9007
539 HNK 0.9005
540 53C 0.9005
541 HNL 0.9005
542 IAC 0.9004
543 51F 0.9003
544 BEN 0.9003
545 463 0.9002
546 MES 0.9001
547 4SX 0.9001
548 ONR 0.9001
549 4FH 0.9000
550 ODO 0.8999
551 KTW 0.8998
552 BRH 0.8998
553 EYV 0.8996
554 RBL 0.8995
555 X1R 0.8994
556 9CA 0.8994
557 ABV 0.8993
558 M2K 0.8992
559 M44 0.8992
560 A3M 0.8991
561 1IT 0.8990
562 7MW 0.8990
563 HPP 0.8990
564 SN4 0.8989
565 NSB 0.8988
566 DQY 0.8988
567 2EH 0.8985
568 TSU 0.8985
569 F06 0.8984
570 AHC 0.8984
571 CWJ 0.8982
572 8WO 0.8982
573 6KT 0.8981
574 IVL 0.8979
575 9ZE 0.8978
576 SKM 0.8978
577 HJH 0.8976
578 9YL 0.8974
579 MR1 0.8974
580 S24 0.8974
581 DAS 0.8974
582 TEO 0.8974
583 8ZE 0.8973
584 8GC 0.8973
585 FF3 0.8972
586 SAN 0.8971
587 HBA 0.8971
588 1KA 0.8970
589 DXP 0.8969
590 DXG 0.8969
591 92G 0.8968
592 0F9 0.8966
593 ALE 0.8966
594 CEE 0.8966
595 4J8 0.8966
596 LSQ 0.8965
597 OCA 0.8965
598 VXX 0.8965
599 9FL 0.8964
600 449 0.8964
601 FBS 0.8963
602 5LD 0.8963
603 TZM 0.8961
604 5FX 0.8960
605 1XA 0.8960
606 ET2 0.8958
607 KPC 0.8958
608 1DU 0.8957
609 A9P 0.8956
610 GVY 0.8955
611 AOS 0.8955
612 RM1 0.8954
613 BHL 0.8954
614 S7A 0.8953
615 ESI 0.8953
616 IFP 0.8953
617 PPT 0.8953
618 2FY 0.8952
619 3NT 0.8951
620 AX3 0.8950
621 F31 0.8949
622 KOJ 0.8947
623 N3W 0.8947
624 363 0.8947
625 FHC 0.8947
626 1WC 0.8946
627 AAS 0.8946
628 LLH 0.8945
629 FCR 0.8945
630 QFJ 0.8945
631 4VP 0.8944
632 WCE 0.8943
633 MLZ 0.8943
634 PLU 0.8943
635 46P 0.8943
636 J6W 0.8942
637 0W1 0.8942
638 PCA 0.8942
639 DHK 0.8938
640 SOL 0.8938
641 MTL 0.8938
642 XUL 0.8937
643 LVD 0.8937
644 X1S 0.8937
645 S0W 0.8933
646 PAH 0.8933
647 EKZ 0.8932
648 MEV 0.8932
649 5DL 0.8932
650 M5H 0.8931
651 2O6 0.8931
652 3BZ 0.8930
653 ES2 0.8930
654 AC0 0.8930
655 QBM 0.8929
656 MQN 0.8928
657 LX1 0.8927
658 GLR 0.8927
659 CLW 0.8926
660 0V5 0.8925
661 BL0 0.8925
662 MAE 0.8925
663 4JQ 0.8923
664 O8Y 0.8923
665 BRT 0.8921
666 X48 0.8920
667 EA1 0.8919
668 5RP 0.8918
669 DEW 0.8915
670 HE2 0.8914
671 NMJ 0.8914
672 TSR 0.8912
673 LPK 0.8912
674 DNF 0.8910
675 OHP 0.8908
676 4NM 0.8907
677 492 0.8906
678 I3E 0.8906
679 PBC 0.8906
680 NIO 0.8905
681 FBW 0.8903
682 4JM 0.8902
683 6PC 0.8901
684 HYA 0.8900
685 CFA 0.8899
686 BPN 0.8899
687 DAR 0.8898
688 CS2 0.8896
689 36E 0.8894
690 RLG 0.8893
691 ARG 0.8892
692 MNN 0.8891
693 H8N 0.8889
694 ASC 0.8887
695 IHG 0.8886
696 N2I 0.8885
697 2MI 0.8885
698 505 0.8885
699 4XF 0.8885
700 8K2 0.8885
701 COU 0.8884
702 H42 0.8884
703 MLE 0.8884
704 BNS 0.8882
705 7Q1 0.8881
706 ILE 0.8881
707 14J 0.8881
708 1DJ 0.8881
709 MXN 0.8879
710 DOB 0.8879
711 LLQ 0.8878
712 BAM 0.8878
713 FUD 0.8877
714 UNJ 0.8877
715 AZM 0.8877
716 4NB 0.8877
717 VGD 0.8874
718 SC2 0.8869
719 4XS 0.8869
720 K97 0.8867
721 UA5 0.8866
722 ISD 0.8865
723 1P3 0.8864
724 4XV 0.8864
725 QSH 0.8863
726 03V 0.8863
727 FB2 0.8863
728 4M0 0.8863
729 GGB 0.8862
730 F98 0.8860
731 MS9 0.8860
732 XRX 0.8860
733 TAG 0.8859
734 OCH 0.8859
735 1P8 0.8858
736 2QC 0.8857
737 2PG 0.8857
738 0TU 0.8855
739 EN1 0.8854
740 M1Z 0.8854
741 7QS 0.8854
742 BHA 0.8853
743 9RH 0.8851
744 THE 0.8851
745 HXY 0.8851
746 I3A 0.8850
747 NDH 0.8850
748 BP7 0.8849
749 4BL 0.8848
750 40F 0.8847
751 FA0 0.8845
752 PJL 0.8845
753 VGL 0.8845
754 259 0.8844
755 4FS 0.8844
756 KVP 0.8844
757 2AQ 0.8842
758 MNP 0.8842
759 XSP 0.8842
760 TSS 0.8840
761 9GB 0.8840
762 ICF 0.8840
763 ES5 0.8840
764 N1E 0.8840
765 SR1 0.8839
766 1VK 0.8838
767 36R 0.8838
768 PCS 0.8838
769 PFF 0.8837
770 4JL 0.8837
771 FGZ 0.8836
772 AVI 0.8834
773 DEZ 0.8834
774 EHM 0.8831
775 DTY 0.8830
776 EVF 0.8829
777 4TP 0.8828
778 4TU 0.8828
779 NTN 0.8827
780 795 0.8826
781 1SP 0.8825
782 XCZ 0.8825
783 M4S 0.8825
784 12T 0.8823
785 ENO 0.8823
786 GZL 0.8822
787 MQB 0.8820
788 GBN 0.8820
789 SYV 0.8819
790 LYL 0.8819
791 AAN 0.8819
792 EXD 0.8817
793 JB5 0.8817
794 FA1 0.8816
795 PMB 0.8816
796 6RQ 0.8815
797 CMS 0.8815
798 FW5 0.8814
799 RKV 0.8813
800 DHC 0.8813
801 NVU 0.8808
802 3ZB 0.8808
803 56D 0.8808
804 UY7 0.8808
805 4BY 0.8807
806 3PP 0.8807
807 3QO 0.8807
808 HX3 0.8806
809 0NX 0.8806
810 270 0.8806
811 LQ2 0.8805
812 JAE 0.8804
813 SS1 0.8803
814 2AS 0.8803
815 RA7 0.8802
816 5RO 0.8802
817 51R 0.8801
818 DTL 0.8800
819 Z5P 0.8799
820 QBK 0.8799
821 4YO 0.8797
822 HSX 0.8797
823 PRZ 0.8797
824 TTL 0.8795
825 5CU 0.8794
826 FBA 0.8793
827 UNU 0.8793
828 IV2 0.8792
829 LGT 0.8791
830 F12 0.8790
831 8WT 0.8788
832 BPY 0.8787
833 MPK 0.8786
834 DIN 0.8785
835 XM0 0.8784
836 RP3 0.8783
837 TYC 0.8782
838 F4K 0.8782
839 YIE 0.8782
840 6HO 0.8781
841 JND 0.8778
842 Q04 0.8777
843 P92 0.8776
844 D3G 0.8775
845 RNO 0.8775
846 SNO 0.8773
847 2CL 0.8772
848 F60 0.8771
849 2HQ 0.8770
850 4I8 0.8769
851 PZM 0.8768
852 2D0 0.8768
853 PHI 0.8768
854 KYA 0.8767
855 XQ0 0.8767
856 4SD 0.8767
857 GZQ 0.8767
858 H7Y 0.8764
859 5VM 0.8764
860 5NU 0.8763
861 14O 0.8763
862 TEG 0.8762
863 QSC 0.8761
864 D48 0.8761
865 SS2 0.8761
866 BP9 0.8760
867 MZW 0.8760
868 AHB 0.8759
869 5H1 0.8759
870 BZJ 0.8756
871 IOS 0.8753
872 3PF 0.8752
873 JZA 0.8749
874 SQ4 0.8749
875 0FK 0.8746
876 LT2 0.8743
877 1DV 0.8743
878 428 0.8743
879 Q07 0.8742
880 JA8 0.8742
881 33S 0.8740
882 KDV 0.8739
883 BQ2 0.8738
884 4JC 0.8738
885 PZA 0.8737
886 86J 0.8737
887 HQT 0.8735
888 JZ5 0.8734
889 5MI 0.8729
890 BGC 0.8728
891 ATX 0.8728
892 2FX 0.8727
893 DPF 0.8726
894 4Z4 0.8726
895 BEA 0.8725
896 CK2 0.8723
897 IPB 0.8723
898 64Z 0.8723
899 PQK 0.8722
900 FF2 0.8721
901 HPL 0.8721
902 G3E 0.8720
903 LEA 0.8718
904 E7Z 0.8717
905 4ME 0.8715
906 ABU 0.8715
907 8HC 0.8715
908 CLT 0.8715
909 80G 0.8714
910 N7I 0.8714
911 3R6 0.8712
912 5VL 0.8711
913 A09 0.8711
914 F69 0.8710
915 UFV 0.8710
916 MRY 0.8708
917 J5I 0.8708
918 5OO 0.8707
919 S0E 0.8705
920 12Q 0.8703
921 SKF 0.8702
922 SQ7 0.8701
923 HQ9 0.8701
924 TB8 0.8700
925 MRW 0.8700
926 SSN 0.8699
927 P9E 0.8699
928 XCG 0.8698
929 ES7 0.8698
930 3V4 0.8698
931 TMG 0.8697
932 6AI 0.8696
933 MMS 0.8692
934 GLL 0.8691
935 OHG 0.8690
936 5QY 0.8689
937 M58 0.8686
938 9R5 0.8686
939 5WV 0.8685
940 AEH 0.8684
941 KKN 0.8681
942 GF4 0.8679
943 4XR 0.8678
944 KP6 0.8677
945 36M 0.8677
946 KUF 0.8676
947 11S 0.8675
948 TH7 0.8674
949 A7W 0.8671
950 42C 0.8669
951 Q6T 0.8668
952 YCP 0.8667
953 AMC 0.8664
954 15E 0.8663
955 PYF 0.8663
956 8H8 0.8662
957 EUG 0.8661
958 3VW 0.8661
959 5MB 0.8660
960 HHT 0.8658
961 C2B 0.8655
962 5QX 0.8651
963 EV0 0.8649
964 6ME 0.8648
965 7W1 0.8648
966 AHR 0.8648
967 CIT 0.8647
968 KVV 0.8647
969 R8V 0.8647
970 AN3 0.8646
971 XAZ 0.8646
972 ISN 0.8645
973 SYG 0.8644
974 KT7 0.8643
975 RHU 0.8639
976 OXC 0.8636
977 ES9 0.8633
978 URC 0.8632
979 T9G 0.8629
980 4AA 0.8629
981 XRS 0.8627
982 R2B 0.8626
983 ODK 0.8625
984 SKA 0.8624
985 V55 0.8624
986 9UL 0.8623
987 QBS 0.8623
988 ORO 0.8622
989 E3X 0.8622
990 DDU 0.8620
991 ZZA 0.8619
992 BZX 0.8619
993 DQU 0.8618
994 BZE 0.8618
995 CTL 0.8613
996 3HA 0.8612
997 1PS 0.8611
998 FSG 0.8610
999 Q88 0.8609
1000 DOR 0.8608
1001 KBZ 0.8607
1002 6M9 0.8606
1003 D1X 0.8606
1004 AW5 0.8604
1005 S7S 0.8603
1006 HMH 0.8602
1007 G14 0.8596
1008 VM1 0.8595
1009 DBH 0.8592
1010 9KH 0.8591
1011 QX4 0.8591
1012 OQC 0.8590
1013 LZM 0.8590
1014 EWG 0.8590
1015 BDP 0.8587
1016 ABN 0.8586
1017 M1E 0.8586
1018 XHP 0.8585
1019 L13 0.8584
1020 GTQ 0.8581
1021 B62 0.8578
1022 FA3 0.8577
1023 NOJ 0.8576
1024 PEZ 0.8575
1025 0P6 0.8574
1026 QIC 0.8569
1027 IPM 0.8569
1028 4HM 0.8566
1029 KDF 0.8563
1030 3FH 0.8562
1031 E7S 0.8561
1032 PRO 0.8557
1033 DA4 0.8547
1034 GTR 0.8543
1035 FBU 0.8542
1036 3DM 0.8541
1037 6SD 0.8540
1038 86L 0.8540
1039 J9W 0.8540
1040 KJU 0.8536
1041 3M0 0.8528
1042 K5W 0.8527
1043 ICT 0.8520
1044 0FO 0.8514
1045 FBV 0.8514
1046 Y3L 0.8512
1047 I2E 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BG1; Ligand: IVL; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4bg1.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6NPC AKG 47.2585
2 6NPC KVV 47.2585
Pocket No.: 2; Query (leader) PDB : 4BG1; Ligand: IVL; 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: 4bg1.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4BG1; Ligand: OGA; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 4bg1.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6NPC AKG 47.2585
2 6NPC KVV 47.2585
Pocket No.: 4; Query (leader) PDB : 4BG1; Ligand: OGA; 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: 4bg1.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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