Receptor
PDB id Resolution Class Description Source Keywords
4IDK 2.1 Å EC: 2.7.7.49 HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE 428 S HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 RNA-DIRECTED DNA POLYMERASE DNA POLYMERASE ENDONUCLEASE HMULTIFUNCTIONAL ENZYME TRANSFERASE-TRANSFERASE INHIBITOR C
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
MG A:603;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
DMS A:611;
A:607;
A:610;
B:502;
B:506;
A:606;
A:608;
B:501;
B:507;
A:609;
B:505;
A:604;
B:503;
A:612;
A:605;
B:504;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
1FE A:602;
 Valid;
 none;
 submit data
206.201 C9 H10 N4 O2 c1cc2...
T27 A:601;
 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 4IDK - 1FE C9 H10 N4 O2 c1cc2c(cc1....
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 4IDK - 1FE C9 H10 N4 O2 c1cc2c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1FE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1FE 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: 1FE; Similar ligands found: 629
No: Ligand Similarity coefficient
1 QIV 0.9617
2 S0D 0.9554
3 0UL 0.9553
4 OLU 0.9534
5 AJ1 0.9494
6 JCZ 0.9475
7 FZ0 0.9460
8 4I8 0.9434
9 PRL 0.9427
10 GB4 0.9422
11 KLS 0.9411
12 XCG 0.9400
13 Y3L 0.9394
14 A7H 0.9392
15 7FU 0.9379
16 GB5 0.9379
17 F40 0.9374
18 HH6 0.9370
19 YE7 0.9368
20 52F 0.9368
21 B1J 0.9358
22 AJG 0.9352
23 Q0K 0.9340
24 IOP 0.9335
25 PIQ 0.9332
26 A6W 0.9331
27 K7H 0.9324
28 363 0.9322
29 E3X 0.9321
30 I2E 0.9320
31 CX4 0.9317
32 27K 0.9314
33 LL1 0.9314
34 GO2 0.9313
35 5VU 0.9307
36 JBZ 0.9302
37 5TT 0.9297
38 5TZ 0.9293
39 HC4 0.9289
40 4UM 0.9285
41 4CN 0.9284
42 2GQ 0.9281
43 M78 0.9279
44 TMG 0.9278
45 3VS 0.9273
46 9NB 0.9272
47 NKI 0.9271
48 DDC 0.9270
49 6FB 0.9265
50 49P 0.9263
51 1V3 0.9263
52 NIF 0.9260
53 JA5 0.9254
54 EWG 0.9252
55 VM1 0.9249
56 NFZ 0.9249
57 TID 0.9247
58 6C5 0.9246
59 7MW 0.9244
60 TCR 0.9243
61 3SU 0.9243
62 2FX 0.9242
63 DTR 0.9239
64 ZEA 0.9238
65 36M 0.9238
66 J1K 0.9237
67 EUH 0.9236
68 RGK 0.9229
69 ZHA 0.9225
70 20D 0.9225
71 A73 0.9224
72 5F8 0.9223
73 WLH 0.9212
74 2QC 0.9212
75 0DF 0.9211
76 1V1 0.9207
77 TRP 0.9207
78 8NB 0.9205
79 YE6 0.9205
80 DFL 0.9204
81 7EH 0.9204
82 FCW 0.9202
83 60L 0.9201
84 5F5 0.9200
85 5FL 0.9198
86 LIG 0.9194
87 1AJ 0.9193
88 5TO 0.9189
89 1BW 0.9188
90 6C9 0.9187
91 6KT 0.9186
92 6C8 0.9185
93 5OO 0.9185
94 RSV 0.9184
95 2PK 0.9184
96 RCV 0.9183
97 MKN 0.9182
98 2JX 0.9181
99 2P3 0.9175
100 BVS 0.9172
101 1EB 0.9171
102 P81 0.9169
103 A5H 0.9167
104 H4B 0.9167
105 1V4 0.9165
106 MD6 0.9165
107 9BF 0.9163
108 C0W 0.9163
109 6FG 0.9162
110 IQ5 0.9158
111 7L4 0.9156
112 8YH 0.9154
113 DRG 0.9152
114 II4 0.9152
115 ET0 0.9151
116 N91 0.9151
117 5H6 0.9146
118 LEL 0.9144
119 833 0.9143
120 4AU 0.9141
121 2PV 0.9140
122 47V 0.9138
123 NDD 0.9136
124 GVY 0.9136
125 FHV 0.9135
126 JSX 0.9134
127 S1D 0.9133
128 9UL 0.9120
129 AES 0.9119
130 DBE 0.9118
131 0K7 0.9117
132 C4E 0.9115
133 657 0.9114
134 S60 0.9113
135 25F 0.9112
136 20N 0.9110
137 272 0.9109
138 6SD 0.9108
139 SNJ 0.9108
140 NAL 0.9105
141 8V8 0.9104
142 HNT 0.9102
143 A9B 0.9101
144 5C1 0.9099
145 HRM 0.9099
146 6C4 0.9097
147 XI7 0.9097
148 9XZ 0.9097
149 PPN 0.9096
150 4BX 0.9096
151 EUE 0.9095
152 HRD 0.9095
153 5E5 0.9095
154 Q8G 0.9095
155 EE8 0.9092
156 ITE 0.9092
157 FF2 0.9090
158 6DQ 0.9090
159 SYE 0.9088
160 5SJ 0.9088
161 J38 0.9087
162 3VX 0.9083
163 DFV 0.9083
164 BGU 0.9080
165 X0U 0.9080
166 G14 0.9078
167 S98 0.9077
168 P93 0.9076
169 MMJ 0.9074
170 5V7 0.9072
171 4NR 0.9071
172 3F4 0.9071
173 TXW 0.9070
174 NK5 0.9070
175 8CC 0.9070
176 6MW 0.9069
177 5GT 0.9069
178 AMR 0.9067
179 0JD 0.9066
180 HMZ 0.9065
181 KMY 0.9065
182 SZ5 0.9063
183 Q8D 0.9062
184 LRW 0.9062
185 3ZB 0.9062
186 4FE 0.9061
187 9JT 0.9060
188 4BY 0.9058
189 3VQ 0.9057
190 YZ9 0.9056
191 OQC 0.9055
192 JGY 0.9053
193 4NP 0.9052
194 7G2 0.9051
195 NAG 0.9049
196 0LO 0.9048
197 5B2 0.9047
198 KWB 0.9047
199 BQ2 0.9046
200 VFG 0.9046
201 1HP 0.9044
202 ZRK 0.9044
203 RVE 0.9040
204 ZZA 0.9039
205 P4L 0.9038
206 27M 0.9036
207 U7E 0.9036
208 2LW 0.9033
209 57U 0.9031
210 3JC 0.9028
211 AP6 0.9028
212 K3D 0.9026
213 5NN 0.9025
214 9CE 0.9025
215 9R5 0.9025
216 FYR 0.9024
217 5WT 0.9021
218 DXK 0.9021
219 4FF 0.9019
220 EZL 0.9018
221 3IL 0.9016
222 5WN 0.9014
223 2WU 0.9013
224 M4E 0.9012
225 EV3 0.9011
226 4ZF 0.9007
227 EV2 0.9006
228 D25 0.9006
229 CHQ 0.9004
230 M4N 0.9001
231 3D8 0.9001
232 SU9 0.8999
233 U4J 0.8999
234 4Z1 0.8999
235 4MB 0.8998
236 BIK 0.8998
237 ZIP 0.8998
238 0SY 0.8997
239 7O4 0.8994
240 NPX 0.8993
241 ASE 0.8992
242 P9E 0.8991
243 L1T 0.8991
244 YIP 0.8989
245 2D2 0.8989
246 NDG 0.8989
247 AZM 0.8988
248 S0E 0.8987
249 K4T 0.8985
250 PLP 0.8985
251 LTN 0.8984
252 BMZ 0.8984
253 GOE 0.8983
254 RYV 0.8983
255 GDL 0.8983
256 LR2 0.8981
257 AD6 0.8981
258 L07 0.8980
259 IQW 0.8979
260 TJM 0.8978
261 FT6 0.8976
262 K82 0.8976
263 W8L 0.8974
264 78Y 0.8973
265 4NS 0.8972
266 CDJ 0.8972
267 6N4 0.8972
268 JP2 0.8971
269 DHC 0.8970
270 BA5 0.8968
271 KP2 0.8967
272 JMG 0.8965
273 N4E 0.8965
274 8D6 0.8965
275 P80 0.8963
276 ERZ 0.8963
277 SWX 0.8961
278 NY4 0.8960
279 HBI 0.8959
280 CKA 0.8959
281 109 0.8959
282 ML1 0.8959
283 V2Z 0.8957
284 S7S 0.8957
285 6ZW 0.8956
286 0XR 0.8956
287 D26 0.8955
288 0FR 0.8953
289 TYR 0.8947
290 RKV 0.8945
291 GJG 0.8944
292 H2W 0.8944
293 9ZE 0.8942
294 CR4 0.8939
295 LO1 0.8939
296 N7I 0.8939
297 L03 0.8938
298 A98 0.8938
299 WV7 0.8938
300 L2K 0.8937
301 F18 0.8937
302 JVD 0.8936
303 AZY 0.8936
304 4BL 0.8935
305 P4T 0.8935
306 57D 0.8935
307 IDZ 0.8933
308 PUE 0.8933
309 15N 0.8933
310 MZM 0.8932
311 SKF 0.8931
312 92P 0.8931
313 AGI 0.8931
314 30G 0.8930
315 X48 0.8929
316 X2M 0.8929
317 EYV 0.8929
318 VFJ 0.8928
319 3DE 0.8927
320 HPX 0.8924
321 2UD 0.8923
322 28A 0.8921
323 BP7 0.8921
324 FCD 0.8920
325 THA 0.8920
326 PNP 0.8919
327 M28 0.8916
328 KLV 0.8915
329 STV 0.8914
330 3C5 0.8912
331 4V2 0.8910
332 BSU 0.8910
333 I3E 0.8909
334 JB8 0.8909
335 A63 0.8909
336 LI7 0.8909
337 1OT 0.8908
338 1XS 0.8907
339 4Z9 0.8906
340 AXX 0.8906
341 ENO 0.8902
342 E1T 0.8901
343 22T 0.8899
344 LZ5 0.8899
345 NAR 0.8898
346 3R4 0.8897
347 NEU 0.8896
348 96Z 0.8895
349 C53 0.8894
350 795 0.8891
351 08C 0.8889
352 39Z 0.8889
353 3GX 0.8887
354 27F 0.8887
355 M3W 0.8886
356 PZX 0.8885
357 JF5 0.8882
358 4XF 0.8882
359 6DH 0.8879
360 LFQ 0.8879
361 ODK 0.8878
362 OTA 0.8877
363 68B 0.8875
364 HJ7 0.8875
365 GO8 0.8874
366 DVQ 0.8873
367 SJR 0.8872
368 RD4 0.8870
369 H75 0.8869
370 KYA 0.8868
371 IPJ 0.8867
372 DX7 0.8867
373 H2B 0.8866
374 N1E 0.8865
375 801 0.8865
376 KU1 0.8864
377 M9N 0.8863
378 JTF 0.8862
379 5KN 0.8862
380 QMS 0.8862
381 4EU 0.8861
382 G2V 0.8861
383 KLE 0.8860
384 BIO 0.8860
385 CX6 0.8858
386 5S9 0.8858
387 H35 0.8857
388 IOS 0.8857
389 D1G 0.8854
390 GHQ 0.8854
391 2JK 0.8854
392 E9L 0.8853
393 3WL 0.8852
394 C82 0.8852
395 BBY 0.8852
396 IBP 0.8852
397 344 0.8851
398 S0A 0.8850
399 CWE 0.8849
400 PMP 0.8849
401 1UZ 0.8848
402 UN3 0.8846
403 AVX 0.8846
404 108 0.8845
405 K48 0.8843
406 IS2 0.8843
407 NIY 0.8840
408 IAC 0.8840
409 91F 0.8839
410 5P3 0.8838
411 VT3 0.8838
412 HA5 0.8838
413 CXH 0.8837
414 OPA 0.8837
415 UN9 0.8836
416 0MB 0.8834
417 PQM 0.8834
418 122 0.8832
419 MJW 0.8832
420 CUE 0.8831
421 C0V 0.8830
422 9KZ 0.8827
423 SRO 0.8825
424 A05 0.8825
425 KYN 0.8824
426 SQV 0.8823
427 2QU 0.8823
428 VFM 0.8821
429 DX2 0.8820
430 AH6 0.8820
431 1F1 0.8818
432 NRA 0.8818
433 IQZ 0.8818
434 CIY 0.8818
435 A8D 0.8818
436 0OK 0.8817
437 B21 0.8816
438 FER 0.8815
439 1A5 0.8814
440 D1Y 0.8813
441 90G 0.8809
442 5GV 0.8809
443 7KE 0.8808
444 NPS 0.8807
445 EQW 0.8807
446 0NX 0.8807
447 G6P 0.8806
448 4AB 0.8805
449 55D 0.8803
450 BZQ 0.8803
451 94W 0.8802
452 MS0 0.8801
453 LC1 0.8800
454 SSY 0.8799
455 D9Z 0.8798
456 JF8 0.8797
457 LUM 0.8797
458 7MX 0.8796
459 M83 0.8796
460 M6Z 0.8795
461 121 0.8794
462 EQU 0.8794
463 Q4G 0.8794
464 6QT 0.8793
465 3D3 0.8792
466 TEF 0.8792
467 C9M 0.8789
468 R4E 0.8787
469 SX2 0.8787
470 W81 0.8786
471 O9Z 0.8785
472 5RP 0.8784
473 NWD 0.8784
474 62D 0.8782
475 A7Q 0.8782
476 U13 0.8781
477 S62 0.8781
478 O9T 0.8781
479 OW7 0.8779
480 CU8 0.8779
481 P7V 0.8778
482 5ER 0.8777
483 1FL 0.8776
484 SJK 0.8775
485 5O6 0.8769
486 51Y 0.8768
487 MBP 0.8767
488 BPU 0.8767
489 DUR 0.8766
490 5ZM 0.8764
491 GJK 0.8762
492 WG8 0.8761
493 7G0 0.8761
494 K4V 0.8758
495 4GU 0.8757
496 RA7 0.8756
497 HWH 0.8753
498 HPP 0.8752
499 KWV 0.8746
500 8NX 0.8746
501 JDN 0.8746
502 TSS 0.8745
503 ZYQ 0.8744
504 D3G 0.8741
505 DK1 0.8740
506 RF2 0.8739
507 EST 0.8738
508 6JO 0.8734
509 6JM 0.8733
510 DVK 0.8730
511 VGS 0.8730
512 JAH 0.8729
513 OKM 0.8728
514 Q5M 0.8727
515 N0Z 0.8722
516 CSN 0.8721
517 MUR 0.8720
518 B61 0.8718
519 4HG 0.8716
520 SSC 0.8715
521 GNV 0.8709
522 CG 0.8708
523 COL 0.8708
524 1R5 0.8708
525 61M 0.8703
526 CFA 0.8702
527 KDV 0.8701
528 KF5 0.8700
529 2QV 0.8699
530 GNR 0.8698
531 BX4 0.8696
532 40N 0.8696
533 PEY 0.8694
534 92G 0.8689
535 R5P 0.8688
536 7AP 0.8688
537 D8Q 0.8688
538 KMP 0.8688
539 R52 0.8688
540 0QA 0.8688
541 EZ1 0.8687
542 39R 0.8685
543 OAI 0.8684
544 1HR 0.8680
545 CWJ 0.8680
546 68C 0.8680
547 LWS 0.8680
548 B15 0.8680
549 GGB 0.8677
550 ZEZ 0.8676
551 7N8 0.8673
552 HBO 0.8666
553 WA2 0.8664
554 0NJ 0.8664
555 CT0 0.8663
556 DAH 0.8663
557 AO 0.8660
558 22L 0.8658
559 OA1 0.8656
560 CUH 0.8656
561 BHS 0.8654
562 2OH 0.8654
563 1Q4 0.8653
564 3W6 0.8652
565 3W3 0.8652
566 7EL 0.8652
567 1A7 0.8650
568 0H5 0.8649
569 ISC 0.8648
570 ZME 0.8646
571 78U 0.8646
572 8G6 0.8644
573 0SX 0.8642
574 FSE 0.8641
575 14W 0.8641
576 C2Y 0.8639
577 S0W 0.8638
578 1Q1 0.8636
579 ALE 0.8635
580 YPN 0.8633
581 DEW 0.8629
582 NU3 0.8627
583 MNP 0.8625
584 7I2 0.8622
585 AJ4 0.8619
586 PTR 0.8619
587 AJD 0.8617
588 FTV 0.8615
589 BG6 0.8614
590 SLS 0.8608
591 5WW 0.8607
592 PQV 0.8606
593 VUP 0.8603
594 O9Q 0.8602
595 4G2 0.8602
596 3AK 0.8599
597 9OF 0.8599
598 6Q3 0.8593
599 4JE 0.8593
600 PH3 0.8591
601 8M5 0.8591
602 2UV 0.8590
603 BK9 0.8590
604 JTA 0.8586
605 GZV 0.8583
606 A5P 0.8580
607 DJN 0.8574
608 G1P 0.8571
609 4AF 0.8570
610 A7N 0.8568
611 5DL 0.8566
612 JY2 0.8566
613 WVV 0.8563
614 NLA 0.8554
615 6VW 0.8552
616 G6Q 0.8552
617 A64 0.8551
618 F6P 0.8549
619 LWA 0.8543
620 34L 0.8543
621 XEV 0.8542
622 LU2 0.8542
623 3N0 0.8542
624 GZ2 0.8540
625 774 0.8538
626 OHJ 0.8523
627 JWS 0.8518
628 4R1 0.8513
629 8UY 0.8513
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
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