Receptor
PDB id Resolution Class Description Source Keywords
4KFB 1.85 Å EC: 2.7.7.49 HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT NNRTI ADJ HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 RNA-DIRECTED DNA POLYMERASE DNA POLYMERASE ENDONUCLEASE HMULTIFUNCTIONAL ENZYME HYDROLASE-INHIBITOR COMPLEX TRANSFTRANSFERASE INHIBITOR COMPLEX
Ref.: DETECTING ALLOSTERIC SITES OF HIV-1 REVERSE TRANSCR X-RAY CRYSTALLOGRAPHIC FRAGMENT SCREENING. J.MED.CHEM. V. 56 2738 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1QP A:601;
Valid;
none;
submit data
190.199 C10 H10 N2 O2 CCOC(...
DMS A:603;
A:604;
B:503;
B:502;
A:606;
B:501;
A:605;
B:505;
B:504;
A:602;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
T27 A:607;
Valid;
none;
submit data
366.419 C22 H18 N6 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DLG 2.2 Å EC: 2.7.7.49 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511. HIV-1 M:B_HXB2R HIV-1 REVERSE TRANSCRIPTASE AIDS NNRTI GW564511 DRUG RESISTANCE TRANSFERASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE IMPROVED DRUG RESISTANCE PROFILE OF NEW GENERATION BENZOPHENONE NON-NUCLEOSIDE HIV-1 REVERSE TRANSCRIPTASE INHIBITORS. J.MED.CHEM. V. 51 5000 2008
Members (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4KO0 - JLJ C17 H18 N4 O2 CC(=CCOc1c....
2 2BE2 ic50 = 0.002 uM R22 C20 H20 I N O3 S Cc1cc(cc(c....
3 6C0J - K5A C27 H28 N6 O3 S2 Cc1cc(cc(c....
4 3MEE - T27 C22 H18 N6 Cc1cc(cc(c....
5 4WE1 - 3LQ C23 H17 N3 O4 c1ccc(c(c1....
6 1C1B - GCA C19 H26 N2 O3 CCOCN1C(=C....
7 2RKI - TT1 C20 H16 Cl N3 S2 c1ccc(cc1)....
8 6UL5 ic50 = 36.2 nM QAG C24 H16 F N5 O S Cc1cc(cc(c....
9 4ID5 - 1FF C11 H10 N2 O2 Cn1c(c(cn1....
10 2ZD1 - T27 C22 H18 N6 Cc1cc(cc(c....
11 6DUG ic50 = 5.4 nM K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
12 6C0K - K5A C27 H28 N6 O3 S2 Cc1cc(cc(c....
13 3MED - 65B C20 H15 Br N6 O Cc1cc(cc(c....
14 5K14 - IB1 C19 H12 F2 N4 O2 COc1cc(c(c....
15 6C0O - K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
16 1VRU ic50 = 0.1 uM AAP C17 H16 Cl2 N2 O2 Cc1ccc(c(c....
17 2HNY ic50 = 1165 nM NVP C15 H14 N4 O Cc1ccnc2c1....
18 3MEC - 65B C20 H15 Br N6 O Cc1cc(cc(c....
19 2YNF - WHU C18 H11 Br Cl2 F N5 O2 c1cc(c(c(c....
20 3QIP - NVP C15 H14 N4 O Cc1ccnc2c1....
21 2HND - NVP C15 H14 N4 O Cc1ccnc2c1....
22 6C0L - K5A C27 H28 N6 O3 S2 Cc1cc(cc(c....
23 4KV8 ic50 = 17 nM 1WT C25 H24 N5 O3 CCN1c2c(cc....
24 4IFY - T27 C22 H18 N6 Cc1cc(cc(c....
25 1C1C - 612 C16 H26 N2 O3 S CCOCN1C(=C....
26 3DLE ic50 = 2 nM GFA C21 H16 Cl N O3 c1ccc(cc1)....
27 6DUH ic50 = 38 nM K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
28 6C0R ic50 = 31 nM K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
29 1RTH ic50 = 0.4 uM U05 C15 H14 N4 O3 CCN1c2cc(c....
30 6X4B - UMY C24 H18 F N3 O4 Cc1c2cc(cc....
31 2YNG - WHU C18 H11 Br Cl2 F N5 O2 c1cc(c(c(c....
32 4G1Q - T27 C22 H18 N6 Cc1cc(cc(c....
33 4ICL - T27 C22 H18 N6 Cc1cc(cc(c....
34 4IG3 - T27 C22 H18 N6 Cc1cc(cc(c....
35 4IDK - 1FE C9 H10 N4 O2 c1cc2c(cc1....
36 3DYA ic50 = 3 nM PZL C19 H10 Br Cl F N5 O c1cc(c(c(c....
37 6ELI - BA5 C10 H9 N3 O4 COC(=O)C1=....
38 2IAJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 4IG0 - 1FG C21 H22 N4 O2 CN(CC1=NC(....
40 2OPS - HBQ C14 H17 F N2 O3 CC[C@H]1C(....
41 4IFV - T27 C22 H18 N6 Cc1cc(cc(c....
42 4KFB - T27 C22 H18 N6 Cc1cc(cc(c....
43 1JKH - EFZ C14 H9 Cl F3 N O2 c1cc2c(cc1....
44 3DOL - GWI C26 H21 Cl2 N3 O6 S CCC(=O)NS(....
45 2YNI - CXD C18 H10 Cl3 F N4 O2 c1cc(c(c(c....
46 6C0P - K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
47 5VQW ic50 = 0.4 uM 9KD C27 H22 N4 O5 Cc1c2cc(cc....
48 3DLG ic50 = 1.2 nM GWE C23 H19 Cl F4 N2 O5 S Cc1cc(ccc1....
49 5VQS ic50 = 1.2 uM 9KD C27 H22 N4 O5 Cc1c2cc(cc....
50 1EP4 - S11 C20 H20 Cl2 N4 O2 S CC(C)c1c(n....
51 1FK9 - EFZ C14 H9 Cl F3 N O2 c1cc2c(cc1....
52 6AOC - ZW2 C13 H10 N2 O3 S c1ccc(cc1)....
53 6CGF - K5A C27 H28 N6 O3 S2 Cc1cc(cc(c....
54 1S1T - UC1 C17 H18 Cl N O2 S Cc1c(cco1)....
55 3LP1 - NVP C15 H14 N4 O Cc1ccnc2c1....
56 2RF2 ic50 = 3.6 nM MRX C13 H14 Br N3 O3 S c1cc2c(cc1....
57 4I7F ic50 = 100 nM NVE C27 H33 N4 O5 P CCN1c2c(cc....
58 6DUF ic50 = 7.3 nM K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
59 4I2P - G73 C23 H21 N7 O Cc1cc(cc(c....
60 6C0N ic50 = 4.3 nM K5C C29 H30 N6 O3 S2 Cc1cc(cc(c....
61 1VRT ic50 = 0.08 uM NVP C15 H14 N4 O Cc1ccnc2c1....
62 2YKN - YKN C13 H9 F2 N3 O S Cc1ccnc(n1....
63 1JLA - TNK C22 H24 N2 O3 CC(C)C1=C(....
64 3BGR - T27 C22 H18 N6 Cc1cc(cc(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 4KFB - T27 C22 H18 N6 Cc1cc(cc(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 4KFB - T27 C22 H18 N6 Cc1cc(cc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1QP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1QP 1 1
Ligand no: 2; Ligand: T27; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 T27 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1QP; Similar ligands found: 869
No: Ligand Similarity coefficient
1 C9E 0.9834
2 C2Y 0.9721
3 92P 0.9681
4 2LY 0.9655
5 8XL 0.9617
6 M4E 0.9603
7 TSS 0.9569
8 30G 0.9566
9 IAC 0.9549
10 9UL 0.9543
11 28N 0.9494
12 64C 0.9430
13 NVU 0.9423
14 SRO 0.9401
15 ALE 0.9384
16 DRG 0.9378
17 IOP 0.9377
18 7MX 0.9369
19 0XT 0.9368
20 M5H 0.9365
21 N8Y 0.9361
22 9BF 0.9356
23 0FR 0.9342
24 4ME 0.9337
25 GO2 0.9335
26 8GK 0.9328
27 64E 0.9320
28 ICO 0.9317
29 9F8 0.9316
30 ZME 0.9311
31 M6Z 0.9310
32 2FY 0.9308
33 GJP 0.9300
34 I2E 0.9300
35 LL1 0.9297
36 5RN 0.9297
37 LNR 0.9296
38 PH2 0.9294
39 ARP 0.9292
40 IOS 0.9287
41 S8D 0.9282
42 HBO 0.9282
43 TSR 0.9274
44 BB4 0.9274
45 BK9 0.9272
46 E1P 0.9271
47 67Y 0.9262
48 6KT 0.9261
49 1A7 0.9260
50 BPU 0.9258
51 NFZ 0.9251
52 363 0.9250
53 N1E 0.9248
54 535 0.9245
55 NLA 0.9244
56 MQB 0.9244
57 VXX 0.9243
58 55D 0.9242
59 6BL 0.9241
60 5V7 0.9239
61 APS 0.9238
62 XFE 0.9238
63 6NT 0.9238
64 AMR 0.9237
65 EGR 0.9236
66 UFO 0.9235
67 68A 0.9235
68 O2A 0.9234
69 2K8 0.9230
70 CX4 0.9230
71 CCV 0.9228
72 CH9 0.9224
73 5WN 0.9223
74 9R5 0.9219
75 JXK 0.9216
76 EYY 0.9209
77 TRP 0.9205
78 4I8 0.9204
79 6VD 0.9196
80 1F1 0.9195
81 ETV 0.9193
82 4TU 0.9188
83 D8Q 0.9187
84 7I2 0.9187
85 ODO 0.9185
86 2GQ 0.9184
87 N7I 0.9184
88 0FK 0.9184
89 5RO 0.9184
90 M2K 0.9184
91 PEY 0.9184
92 BQ2 0.9179
93 15N 0.9178
94 CFA 0.9176
95 7ME 0.9174
96 3NY 0.9173
97 OW7 0.9173
98 0JD 0.9171
99 5TY 0.9171
100 0HN 0.9169
101 LDR 0.9168
102 3TC 0.9168
103 ZON 0.9167
104 QMS 0.9166
105 0HO 0.9165
106 3A9 0.9162
107 61M 0.9161
108 FLV 0.9161
109 H4E 0.9160
110 9FL 0.9158
111 N2I 0.9156
112 JAW 0.9156
113 E1T 0.9154
114 SHA 0.9152
115 2ZM 0.9150
116 A7H 0.9150
117 II4 0.9149
118 226 0.9149
119 0F9 0.9148
120 M78 0.9148
121 8ZE 0.9146
122 78U 0.9144
123 DNA 0.9143
124 9AP 0.9140
125 4Z9 0.9140
126 HHR 0.9139
127 F12 0.9136
128 KYA 0.9136
129 VM1 0.9136
130 2HC 0.9134
131 6J9 0.9133
132 MNP 0.9133
133 M02 0.9131
134 0LH 0.9127
135 CIY 0.9127
136 JY2 0.9126
137 QPR 0.9125
138 X8D 0.9125
139 4RU 0.9125
140 0FO 0.9125
141 790 0.9124
142 2SX 0.9122
143 EV3 0.9121
144 6NI 0.9121
145 AC2 0.9119
146 44V 0.9118
147 QBM 0.9117
148 ABI 0.9117
149 22L 0.9117
150 774 0.9115
151 DNF 0.9112
152 Z5P 0.9112
153 3VX 0.9111
154 DTR 0.9108
155 JXW 0.9108
156 DEW 0.9107
157 1HN 0.9101
158 54X 0.9099
159 JB8 0.9098
160 MS9 0.9098
161 RD4 0.9096
162 6DP 0.9095
163 YE7 0.9094
164 ITW 0.9093
165 ONR 0.9093
166 5NI 0.9093
167 FF2 0.9093
168 KDV 0.9091
169 B62 0.9090
170 NPA 0.9089
171 XDE 0.9088
172 4MU 0.9088
173 STX 0.9084
174 45L 0.9084
175 6HP 0.9083
176 Q6T 0.9081
177 ANF 0.9079
178 J9Q 0.9078
179 JP2 0.9076
180 EYJ 0.9073
181 428 0.9072
182 6ME 0.9071
183 9ZE 0.9069
184 2FQ 0.9068
185 CWS 0.9068
186 8W9 0.9068
187 EOL 0.9067
188 EYA 0.9066
189 5OF 0.9066
190 LTN 0.9065
191 N0Z 0.9064
192 9FE 0.9063
193 ZYR 0.9063
194 BZ3 0.9063
195 DCZ 0.9063
196 HA5 0.9062
197 THA 0.9062
198 AA 0.9061
199 MAJ 0.9061
200 A29 0.9059
201 KUF 0.9059
202 LTT 0.9057
203 97T 0.9057
204 3IT 0.9055
205 069 0.9055
206 8HC 0.9051
207 TQU 0.9051
208 MVN 0.9051
209 INE 0.9050
210 DQU 0.9049
211 E35 0.9049
212 JYT 0.9048
213 BZJ 0.9047
214 UAN 0.9046
215 FER 0.9046
216 36M 0.9045
217 4V2 0.9045
218 HWH 0.9045
219 5TZ 0.9044
220 52C 0.9044
221 BCU 0.9041
222 APZ 0.9041
223 H5B 0.9041
224 I59 0.9040
225 PDC 0.9040
226 M3Q 0.9039
227 EWG 0.9038
228 EYM 0.9036
229 5VL 0.9035
230 JR2 0.9034
231 JND 0.9033
232 39O 0.9032
233 FWD 0.9031
234 PD2 0.9030
235 TOF 0.9029
236 7VS 0.9028
237 96Z 0.9024
238 CXH 0.9023
239 BDP 0.9022
240 4KL 0.9020
241 9CA 0.9019
242 5F5 0.9019
243 Q5M 0.9018
244 KW8 0.9017
245 CC5 0.9017
246 QUB 0.9016
247 LDP 0.9016
248 N91 0.9016
249 6HO 0.9014
250 EV2 0.9014
251 263 0.9013
252 HQD 0.9012
253 DHC 0.9012
254 4ZF 0.9012
255 42C 0.9011
256 8WT 0.9011
257 ZZZ 0.9010
258 4VS 0.9010
259 7FF 0.9010
260 5WY 0.9009
261 FDR 0.9009
262 TXW 0.9009
263 NID 0.9007
264 BA5 0.9007
265 GDE 0.9006
266 J9T 0.9005
267 JYK 0.9005
268 6X9 0.9003
269 DHK 0.9003
270 R8Y 0.9003
271 44W 0.8999
272 XHP 0.8998
273 1IT 0.8997
274 4OG 0.8996
275 5OB 0.8996
276 D80 0.8995
277 GOE 0.8995
278 H4B 0.8995
279 FTV 0.8993
280 SKF 0.8992
281 28S 0.8991
282 PJW 0.8989
283 DNC 0.8988
284 3IB 0.8988
285 AN3 0.8988
286 8NX 0.8986
287 OMD 0.8986
288 4AV 0.8986
289 3QV 0.8985
290 SYE 0.8984
291 AJY 0.8983
292 3Z8 0.8982
293 27K 0.8982
294 7MU 0.8981
295 KF5 0.8980
296 2O6 0.8980
297 BPY 0.8980
298 TTY 0.8980
299 F31 0.8979
300 5ER 0.8979
301 CUT 0.8978
302 I3A 0.8976
303 ZHA 0.8976
304 JDN 0.8974
305 GNM 0.8972
306 THM 0.8971
307 2HU 0.8971
308 ONZ 0.8969
309 B21 0.8969
310 JTA 0.8968
311 M0W 0.8968
312 5JT 0.8968
313 EN1 0.8967
314 3R6 0.8966
315 PRF 0.8966
316 L22 0.8965
317 BGC 0.8965
318 7MW 0.8962
319 KJU 0.8962
320 3J8 0.8962
321 3SU 0.8962
322 THU 0.8962
323 AKH 0.8960
324 1AL 0.8960
325 GZL 0.8960
326 DEE 0.8959
327 V1T 0.8958
328 R9Y 0.8957
329 HHS 0.8957
330 KLK 0.8955
331 M0Q 0.8953
332 ANC 0.8953
333 8MO 0.8952
334 6QF 0.8952
335 AEH 0.8952
336 0P6 0.8952
337 VYM 0.8952
338 M5E 0.8951
339 0DN 0.8950
340 PRZ 0.8949
341 GCS 0.8948
342 MD6 0.8947
343 ELH 0.8947
344 OTW 0.8946
345 KYN 0.8945
346 TYR 0.8945
347 57O 0.8944
348 RVE 0.8944
349 ZIP 0.8944
350 8G0 0.8944
351 F4E 0.8943
352 I3E 0.8943
353 NFM 0.8943
354 A5H 0.8943
355 IV2 0.8943
356 X11 0.8943
357 JXT 0.8942
358 7ZC 0.8941
359 I6G 0.8941
360 CWD 0.8940
361 F52 0.8939
362 XEN 0.8939
363 CWJ 0.8938
364 ASC 0.8937
365 ESP 0.8937
366 P7Y 0.8936
367 3Y7 0.8936
368 2KU 0.8933
369 0N7 0.8933
370 H7Y 0.8933
371 15E 0.8931
372 BDI 0.8930
373 7ZE 0.8929
374 GNV 0.8929
375 GV9 0.8927
376 DUR 0.8925
377 SJK 0.8925
378 EYV 0.8925
379 3IL 0.8922
380 8WO 0.8922
381 CFF 0.8921
382 TT4 0.8920
383 MXD 0.8919
384 94W 0.8919
385 NAG 0.8919
386 8S0 0.8918
387 8CM 0.8918
388 5WT 0.8918
389 OHJ 0.8918
390 64F 0.8918
391 N3W 0.8917
392 R9G 0.8915
393 NQH 0.8915
394 GCU 0.8915
395 3D3 0.8913
396 GO8 0.8912
397 344 0.8912
398 3MB 0.8910
399 5NE 0.8910
400 DXK 0.8909
401 K3Q 0.8909
402 XDK 0.8909
403 M1H 0.8908
404 CK2 0.8908
405 2ZQ 0.8908
406 AX3 0.8908
407 G6P 0.8907
408 8XQ 0.8907
409 5NS 0.8907
410 MRW 0.8907
411 7B3 0.8906
412 MUA 0.8905
413 H7S 0.8904
414 091 0.8904
415 6FZ 0.8904
416 1VK 0.8903
417 2KA 0.8903
418 5QY 0.8903
419 EA1 0.8903
420 SBK 0.8903
421 G3F 0.8902
422 VNL 0.8901
423 L99 0.8901
424 R20 0.8899
425 B41 0.8897
426 IWT 0.8897
427 HC4 0.8896
428 1KP 0.8895
429 C4E 0.8895
430 TCR 0.8895
431 SY4 0.8894
432 2HQ 0.8891
433 OA1 0.8888
434 6TZ 0.8888
435 HLP 0.8886
436 OSB 0.8885
437 HQJ 0.8884
438 KP2 0.8881
439 DBJ 0.8880
440 BWD 0.8880
441 4AA 0.8880
442 G3E 0.8879
443 ROI 0.8879
444 DX3 0.8879
445 CKA 0.8879
446 7HQ 0.8877
447 DPZ 0.8877
448 JG8 0.8877
449 FCD 0.8875
450 OW4 0.8874
451 ZEA 0.8874
452 MR1 0.8873
453 5GT 0.8873
454 3PF 0.8872
455 CLZ 0.8872
456 78Y 0.8870
457 BIK 0.8869
458 5AD 0.8869
459 MS0 0.8868
460 ESI 0.8868
461 JTH 0.8868
462 2BG 0.8867
463 LEL 0.8867
464 SLS 0.8865
465 KT7 0.8865
466 7CT 0.8863
467 GC2 0.8863
468 2JK 0.8861
469 AJV 0.8861
470 4BX 0.8860
471 HLD 0.8860
472 E1K 0.8860
473 KCH 0.8858
474 NCV 0.8858
475 J5I 0.8858
476 L5V 0.8857
477 JF2 0.8856
478 W8G 0.8856
479 LDC 0.8856
480 MCY 0.8856
481 L07 0.8856
482 12Q 0.8855
483 REL 0.8854
484 5GU 0.8854
485 1ZC 0.8853
486 ASE 0.8853
487 1Z8 0.8853
488 TIY 0.8852
489 7NI 0.8852
490 D48 0.8851
491 P9P 0.8850
492 1P7 0.8850
493 RXA 0.8850
494 GZ2 0.8850
495 DHB 0.8850
496 INO 0.8849
497 293 0.8848
498 JY4 0.8848
499 B86 0.8847
500 DDU 0.8847
501 0OY 0.8847
502 AY4 0.8846
503 5F8 0.8845
504 46P 0.8844
505 SKM 0.8843
506 PQ0 0.8842
507 SE2 0.8842
508 DIN 0.8842
509 92K 0.8842
510 ET0 0.8841
511 FUD 0.8840
512 EXG 0.8840
513 96R 0.8840
514 TZM 0.8839
515 5VJ 0.8837
516 CDY 0.8837
517 KTW 0.8836
518 DAH 0.8835
519 BIO 0.8834
520 GLC 0.8834
521 D87 0.8834
522 42A 0.8834
523 PTB 0.8834
524 15L 0.8832
525 1X8 0.8832
526 JU2 0.8832
527 BZE 0.8832
528 L21 0.8831
529 SAF 0.8830
530 14W 0.8829
531 5WU 0.8828
532 CKU 0.8828
533 FC2 0.8828
534 HPT 0.8828
535 0GZ 0.8827
536 PH3 0.8826
537 9MG 0.8826
538 LZM 0.8826
539 93K 0.8825
540 MYI 0.8824
541 N2M 0.8822
542 RM1 0.8822
543 HNQ 0.8822
544 AZ9 0.8822
545 NAL 0.8822
546 GTQ 0.8821
547 NIY 0.8820
548 XQI 0.8819
549 7WR 0.8819
550 6N4 0.8819
551 86J 0.8818
552 HLZ 0.8816
553 JYB 0.8816
554 DK1 0.8816
555 2UD 0.8815
556 54G 0.8815
557 IWD 0.8815
558 E7Z 0.8815
559 TYE 0.8813
560 VK3 0.8813
561 3AD 0.8812
562 B4O 0.8811
563 209 0.8811
564 LLT 0.8811
565 Q24 0.8809
566 MHK 0.8809
567 692 0.8809
568 8G6 0.8808
569 2HO 0.8807
570 LZ2 0.8807
571 CR1 0.8807
572 F2W 0.8806
573 H2B 0.8804
574 QSH 0.8804
575 C0W 0.8803
576 MFZ 0.8803
577 4NC 0.8802
578 3EB 0.8801
579 OVM 0.8801
580 A7W 0.8799
581 9KT 0.8799
582 BHS 0.8797
583 L5D 0.8795
584 4A3 0.8795
585 HA6 0.8795
586 9UG 0.8794
587 NBG 0.8794
588 BEA 0.8792
589 5M0 0.8792
590 7AP 0.8790
591 TTL 0.8789
592 HL4 0.8789
593 5XC 0.8788
594 CTE 0.8788
595 OX2 0.8787
596 NWD 0.8786
597 9TW 0.8786
598 DOB 0.8786
599 5CU 0.8786
600 ORO 0.8784
601 GZV 0.8783
602 FE DB1 0.8783
603 5B1 0.8783
604 5BT 0.8782
605 FA0 0.8782
606 YOF 0.8781
607 23J 0.8781
608 MMS 0.8780
609 F06 0.8780
610 3D8 0.8778
611 5RG 0.8778
612 4A1 0.8777
613 M1E 0.8777
614 MPK 0.8776
615 GCB 0.8776
616 NGO 0.8775
617 OVP 0.8775
618 G1P 0.8774
619 5QX 0.8774
620 HJH 0.8770
621 IBM 0.8769
622 PYU 0.8769
623 DPT 0.8768
624 AUV 0.8768
625 3XH 0.8768
626 GXG 0.8768
627 5MK 0.8766
628 ATX 0.8765
629 B60 0.8765
630 EV0 0.8765
631 49P 0.8764
632 HBI 0.8764
633 KG1 0.8764
634 NGT 0.8763
635 4VY 0.8763
636 ZYQ 0.8763
637 ZYV 0.8762
638 BG6 0.8762
639 NQ 0.8761
640 MYJ 0.8761
641 37T 0.8761
642 EMZ 0.8761
643 C09 0.8760
644 NNO 0.8760
645 OA3 0.8759
646 GJK 0.8758
647 ZEZ 0.8758
648 EY7 0.8758
649 AVA 0.8758
650 MIG 0.8758
651 2F6 0.8757
652 GAL 0.8757
653 4HC 0.8756
654 6Q3 0.8756
655 BHA 0.8755
656 9TZ 0.8755
657 IJZ 0.8754
658 SX1 0.8753
659 9LI 0.8752
660 HDH 0.8752
661 JFJ 0.8751
662 3D1 0.8749
663 HHH 0.8749
664 4Z4 0.8747
665 M1Q 0.8747
666 GCO 0.8746
667 3N4 0.8746
668 1X7 0.8745
669 6R8 0.8744
670 QUS 0.8743
671 4A5 0.8743
672 7ZL 0.8743
673 B2E 0.8743
674 0W1 0.8742
675 2LW 0.8742
676 GTR 0.8742
677 4XF 0.8741
678 258 0.8741
679 5NU 0.8740
680 4AB 0.8740
681 7W1 0.8739
682 HQT 0.8739
683 B5A 0.8739
684 CHB 0.8738
685 LI6 0.8738
686 EVO 0.8736
687 CK1 0.8736
688 FHC 0.8735
689 UNC 0.8734
690 JF1 0.8733
691 NTZ 0.8731
692 OTD 0.8731
693 LKA 0.8730
694 EUH 0.8729
695 DIU 0.8728
696 3HA 0.8727
697 LP8 0.8727
698 AJ2 0.8727
699 LGC 0.8727
700 HWD 0.8726
701 NBV 0.8726
702 4SX 0.8725
703 H33 0.8725
704 XQK 0.8725
705 IQ5 0.8724
706 4M0 0.8724
707 AZ8 0.8722
708 B0K 0.8721
709 8WZ 0.8721
710 B56 0.8720
711 4M4 0.8719
712 SYR 0.8718
713 ID2 0.8717
714 53C 0.8717
715 PQT 0.8717
716 LT2 0.8716
717 WOE 0.8716
718 4XV 0.8716
719 FHB 0.8714
720 ZIQ 0.8714
721 L7T 0.8714
722 67X 0.8713
723 J9W 0.8711
724 SKA 0.8710
725 SG2 0.8708
726 4AN 0.8708
727 YE6 0.8707
728 XM5 0.8707
729 NLQ 0.8706
730 HKD 0.8706
731 AQO 0.8706
732 JLZ 0.8705
733 JXQ 0.8704
734 KBB 0.8704
735 FOT 0.8702
736 KWB 0.8702
737 FT6 0.8701
738 GNL 0.8696
739 LYL 0.8695
740 NIZ 0.8695
741 EUG 0.8693
742 BHO 0.8691
743 878 0.8691
744 3LJ 0.8690
745 505 0.8689
746 PXL 0.8689
747 PCS 0.8688
748 CSN 0.8687
749 YO5 0.8687
750 D2G 0.8687
751 D07 0.8686
752 PQK 0.8686
753 R6T 0.8684
754 6CS 0.8684
755 268 0.8684
756 MAQ 0.8683
757 SYA 0.8682
758 FQX 0.8681
759 AM1 0.8680
760 8U3 0.8680
761 XG1 0.8679
762 XQG 0.8679
763 PYQ 0.8679
764 F1X 0.8678
765 9GP 0.8678
766 U7E 0.8678
767 IHB 0.8674
768 AIN 0.8674
769 MEW 0.8674
770 AOS 0.8674
771 D3G 0.8673
772 G12 0.8671
773 HVE 0.8669
774 3DT 0.8669
775 MUR 0.8669
776 3RI 0.8669
777 CN0 0.8669
778 QSB 0.8664
779 8RK 0.8664
780 6E8 0.8663
781 ES5 0.8663
782 GAB 0.8661
783 SOR 0.8661
784 4Z3 0.8661
785 RZH 0.8660
786 537 0.8658
787 3HM 0.8657
788 JZA 0.8656
789 AP4 0.8655
790 5WS 0.8655
791 M5K 0.8654
792 M9N 0.8652
793 4B0 0.8652
794 5C1 0.8649
795 I7B 0.8648
796 60Q 0.8648
797 B61 0.8647
798 IAG 0.8645
799 Q4G 0.8645
800 JHY 0.8645
801 FIX 0.8642
802 MFR 0.8641
803 JYE 0.8639
804 CTS 0.8639
805 7PJ 0.8637
806 FGZ 0.8637
807 X05 0.8637
808 IYR 0.8637
809 NEO 0.8635
810 MB1 0.8633
811 LT8 0.8633
812 AH9 0.8632
813 X0W 0.8630
814 2AK 0.8629
815 TOH 0.8628
816 MDR 0.8626
817 PRO GLY 0.8625
818 X09 0.8624
819 FWB 0.8624
820 0W8 0.8624
821 GHM 0.8623
822 M1Z 0.8620
823 LIP 0.8619
824 GNR 0.8619
825 X0T 0.8618
826 1HR 0.8616
827 C2U 0.8616
828 C9M 0.8614
829 XI7 0.8613
830 Q7A 0.8612
831 8Y7 0.8612
832 3MG 0.8608
833 4R1 0.8608
834 PE0 0.8606
835 TIU 0.8606
836 B2J 0.8605
837 F6P 0.8604
838 TWO 0.8602
839 H42 0.8602
840 4FS 0.8601
841 3BU 0.8596
842 DHR 0.8595
843 2D3 0.8595
844 DI6 0.8594
845 IPT 0.8590
846 0GA 0.8590
847 03V 0.8590
848 KDG 0.8588
849 PFF 0.8585
850 28A 0.8585
851 GSY 0.8585
852 DRL 0.8584
853 IQQ 0.8584
854 3F0 0.8583
855 WUB 0.8572
856 BOQ 0.8568
857 HQ9 0.8567
858 BRD 0.8563
859 RK4 0.8562
860 6MW 0.8559
861 XX2 0.8555
862 EYK 0.8552
863 DTY 0.8549
864 LFQ 0.8538
865 1Q4 0.8535
866 DLT 0.8529
867 TYU 0.8527
868 I4D 0.8526
869 R8V 0.8517
Ligand no: 2; Ligand: T27; Similar ligands found: 4
No: Ligand Similarity coefficient
1 QAG 0.9226
2 G73 0.9192
3 65B 0.9080
4 IB1 0.9040
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DLG; Ligand: GWE; 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: 3dlg.bio1) has 85 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback