Receptor
PDB id Resolution Class Description Source Keywords
4ifv 2.05 Å EC: 2.7.7.49 DETECTING ALLOSTERIC SITES OF HIV-1 REVERSE TRANSCRIPTASE BY CRYSTALLOGRAPHIC FRAGMENT SCREENING 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
FMQ A:602;
B:501;
 Valid;
Valid;
 none;
none;
 submit data
206.216 C11 H11 F N2 O Cc1c(...
MG A:607;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
T27 A:601;
 Valid;
 none;
 submit data
366.419 C22 H18 N6 Cc1cc...
DMS A:603;
B:508;
A:604;
B:503;
B:506;
B:502;
A:606;
A:605;
B:507;
B:504;
B:505;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
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 4IFV - 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 4IFV - T27 C22 H18 N6 Cc1cc(cc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FMQ 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: FMQ; Similar ligands found: 616
No: Ligand Similarity coefficient
1 50C 0.9740
2 9FG 0.9578
3 JAH 0.9549
4 SWX 0.9547
5 8D6 0.9517
6 4HB 0.9497
7 RA7 0.9470
8 F4K 0.9467
9 9FH 0.9445
10 54E 0.9443
11 B1J 0.9422
12 E3X 0.9421
13 80G 0.9420
14 0NX 0.9364
15 2QC 0.9363
16 92G 0.9358
17 AWE 0.9352
18 L13 0.9344
19 BPY 0.9329
20 ODK 0.9326
21 5TT 0.9323
22 X48 0.9305
23 0K7 0.9297
24 EQW 0.9291
25 HNH 0.9285
26 G14 0.9283
27 X6W 0.9274
28 GVY 0.9274
29 PQM 0.9272
30 3VQ 0.9272
31 492 0.9272
32 L03 0.9270
33 FYR 0.9267
34 FZM 0.9258
35 BP7 0.9258
36 D3G 0.9252
37 MPK 0.9252
38 5O6 0.9250
39 ERZ 0.9245
40 SOJ 0.9244
41 A9K 0.9244
42 RKN 0.9231
43 795 0.9229
44 C53 0.9225
45 JFS 0.9224
46 4FF 0.9215
47 A4T 0.9215
48 JMG 0.9210
49 GT4 0.9209
50 16Z 0.9209
51 6SD 0.9201
52 2D2 0.9201
53 KLE 0.9198
54 OQC 0.9196
55 C82 0.9194
56 LR8 0.9188
57 GF4 0.9186
58 KTJ 0.9184
59 1Z6 0.9184
60 BP3 0.9182
61 JSX 0.9176
62 5H6 0.9175
63 PUE 0.9174
64 PQS 0.9172
65 SQ7 0.9170
66 J27 0.9170
67 CPZ 0.9169
68 K80 0.9157
69 8OB 0.9155
70 LO1 0.9151
71 HNL 0.9150
72 36Y 0.9149
73 4MP 0.9148
74 CP6 0.9146
75 TYR 0.9144
76 BNL 0.9144
77 S1D 0.9144
78 SV4 0.9140
79 7VP 0.9139
80 2P3 0.9135
81 FTV 0.9134
82 HX4 0.9133
83 THU 0.9133
84 KP2 0.9131
85 LL1 0.9131
86 KW7 0.9131
87 ENO 0.9128
88 L1T 0.9127
89 4NR 0.9124
90 MSR 0.9123
91 1CY 0.9120
92 2JX 0.9119
93 A5E 0.9117
94 ZZA 0.9116
95 A4N 0.9115
96 28A 0.9115
97 IQW 0.9114
98 1XS 0.9108
99 CC5 0.9108
100 363 0.9106
101 6P3 0.9105
102 RKV 0.9102
103 22L 0.9101
104 VBC 0.9101
105 613 0.9098
106 4FC 0.9096
107 CK2 0.9094
108 4BF 0.9093
109 2PV 0.9091
110 AVA 0.9088
111 YE6 0.9087
112 L15 0.9086
113 2PK 0.9085
114 7O4 0.9082
115 SNV 0.9078
116 TZF 0.9076
117 JRB 0.9075
118 TRP 0.9071
119 C2M 0.9069
120 9UL 0.9067
121 HNK 0.9064
122 TYC 0.9061
123 MJ5 0.9061
124 QME 0.9058
125 L2K 0.9057
126 KF5 0.9056
127 7KE 0.9056
128 HXY 0.9055
129 TCC 0.9054
130 XDK 0.9053
131 90M 0.9050
132 6FB 0.9050
133 0OY 0.9048
134 6ZX 0.9048
135 FPL 0.9047
136 CH9 0.9046
137 SQ4 0.9045
138 XIF XYP 0.9045
139 EF2 0.9045
140 TT4 0.9044
141 A7Q 0.9044
142 833 0.9042
143 5VU 0.9036
144 H75 0.9027
145 A9B 0.9023
146 PCS 0.9022
147 PH3 0.9022
148 LJ3 0.9022
149 Q0K 0.9022
150 0UL 0.9021
151 C93 0.9021
152 A5H 0.9020
153 0OK 0.9020
154 XCG 0.9020
155 CH8 0.9018
156 36M 0.9017
157 7EL 0.9017
158 DCN 0.9016
159 8CC 0.9011
160 DTY 0.9008
161 TR4 0.9004
162 N8Z 0.9004
163 SNU 0.8999
164 AU8 0.8999
165 PZ8 0.8996
166 1SF 0.8996
167 PFF 0.8995
168 XYP XIF 0.8994
169 92O 0.8992
170 72D 0.8990
171 1A5 0.8989
172 C1M 0.8988
173 4FP 0.8988
174 26C 0.8987
175 3IL 0.8987
176 HX8 0.8986
177 JA5 0.8984
178 8OE 0.8982
179 RVE 0.8980
180 BQ2 0.8980
181 FCW 0.8980
182 AUV 0.8980
183 S0F 0.8979
184 TCL 0.8978
185 QIV 0.8977
186 A7K 0.8976
187 HWD 0.8975
188 1KN 0.8974
189 GB4 0.8973
190 FCD 0.8971
191 MOK 0.8970
192 BVS 0.8967
193 DC5 0.8965
194 1BW 0.8964
195 MXD 0.8961
196 5AD 0.8961
197 DAH 0.8959
198 4Z9 0.8957
199 K7H 0.8957
200 M6H 0.8956
201 BRH 0.8955
202 JF6 0.8954
203 3VW 0.8952
204 K48 0.8951
205 BC5 0.8948
206 AOT 0.8947
207 H4B 0.8945
208 FB4 0.8945
209 TOH 0.8942
210 4AU 0.8942
211 DTR 0.8941
212 4EU 0.8940
213 P81 0.8937
214 X0U 0.8937
215 AJ1 0.8935
216 3VS 0.8935
217 S7S 0.8934
218 KYN 0.8933
219 977 0.8930
220 46P 0.8929
221 CTN 0.8928
222 5OO 0.8927
223 TI7 0.8927
224 5DE 0.8926
225 4FE 0.8926
226 JPQ 0.8924
227 6EL 0.8922
228 7R4 0.8921
229 TYE 0.8921
230 GFE 0.8920
231 S0D 0.8920
232 BP6 0.8918
233 4AF 0.8918
234 4V2 0.8917
235 C0H 0.8915
236 S0G 0.8911
237 B4O 0.8911
238 KLS 0.8911
239 5OR 0.8910
240 HIC 0.8910
241 VC3 0.8908
242 N3W 0.8908
243 4I8 0.8907
244 A5Q 0.8906
245 42R 0.8906
246 ZSP 0.8904
247 7FU 0.8903
248 MPV 0.8902
249 T2D 0.8902
250 6H2 0.8899
251 PPY 0.8897
252 3DE 0.8896
253 GVG 0.8895
254 GF7 0.8895
255 A6Z 0.8894
256 J9N 0.8892
257 D9Z 0.8891
258 6MW 0.8891
259 R9J 0.8891
260 PHI 0.8887
261 0OL 0.8886
262 XDN XYP 0.8884
263 LVD 0.8882
264 2B4 0.8882
265 4CF 0.8881
266 BIO 0.8881
267 XYP XYP 0.8881
268 HC4 0.8879
269 BVA 0.8878
270 5C1 0.8877
271 AVX 0.8877
272 HHH 0.8877
273 A7H 0.8874
274 N9J 0.8874
275 SQV 0.8873
276 4LV 0.8872
277 CUQ 0.8872
278 URI 0.8871
279 6WR 0.8870
280 HNT 0.8870
281 GB5 0.8870
282 ALE 0.8870
283 D8Q 0.8870
284 LFQ 0.8869
285 XDL XYP 0.8868
286 XIL 0.8868
287 AJG 0.8868
288 15Q 0.8867
289 VJJ 0.8867
290 1A7 0.8866
291 4LW 0.8864
292 YZM 0.8864
293 MEX 0.8863
294 Y3L 0.8863
295 5VL 0.8862
296 D1Y 0.8861
297 DUR 0.8859
298 CUT 0.8859
299 KWB 0.8859
300 BZE 0.8858
301 WVV 0.8856
302 LOT 0.8856
303 F4E 0.8855
304 TB8 0.8854
305 FT6 0.8854
306 72E 0.8853
307 EI1 0.8850
308 TMG 0.8850
309 TJM 0.8850
310 IWT 0.8849
311 RSV 0.8848
312 ITE 0.8848
313 F4U 0.8847
314 NCT 0.8846
315 GZ2 0.8846
316 EAT 0.8846
317 27K 0.8844
318 XYP XDN 0.8843
319 LZ5 0.8841
320 NAG 0.8841
321 CX6 0.8841
322 B2Y 0.8840
323 A9P 0.8840
324 MMS 0.8838
325 W29 0.8836
326 DPN 0.8835
327 CK1 0.8835
328 0BP 0.8833
329 6DE 0.8833
330 EES 0.8830
331 S46 0.8830
332 S0W 0.8829
333 Q4G 0.8828
334 7L4 0.8827
335 M3E 0.8827
336 C4E 0.8826
337 BXZ 0.8824
338 0SY 0.8824
339 GNW 0.8823
340 U13 0.8823
341 M2E 0.8823
342 LJ4 0.8823
343 CBE 0.8821
344 9JT 0.8820
345 PRL 0.8819
346 6KT 0.8818
347 EV2 0.8818
348 0DF 0.8818
349 7ZL 0.8818
350 HJH 0.8818
351 E9P 0.8817
352 J1K 0.8816
353 H2B 0.8813
354 9H2 0.8813
355 NE2 0.8812
356 HPP 0.8811
357 U4J 0.8810
358 H4E 0.8809
359 78U 0.8809
360 5E5 0.8808
361 68B 0.8808
362 0FR 0.8801
363 1XA 0.8799
364 6J5 0.8798
365 N2Y 0.8798
366 LTN 0.8798
367 DDU 0.8798
368 8V8 0.8796
369 A6H 0.8796
370 BX4 0.8796
371 NFA 0.8795
372 657 0.8794
373 M5E 0.8791
374 IYR 0.8790
375 NE1 0.8790
376 RUY 0.8790
377 GJG 0.8790
378 BBY 0.8790
379 96Z 0.8788
380 CP7 0.8786
381 FHV 0.8786
382 FC2 0.8786
383 XI7 0.8785
384 HRM 0.8785
385 DBE 0.8784
386 3VX 0.8782
387 SLY 0.8781
388 5B2 0.8781
389 3WJ 0.8781
390 4AB 0.8780
391 Z70 0.8779
392 N9M 0.8779
393 1HP 0.8775
394 I3E 0.8775
395 WCU 0.8773
396 3NF 0.8771
397 HL4 0.8770
398 F1X 0.8769
399 8NB 0.8769
400 L5D 0.8769
401 5S9 0.8768
402 1ER 0.8768
403 B21 0.8768
404 5FL 0.8766
405 EE8 0.8765
406 NAL 0.8765
407 PHE 0.8764
408 56D 0.8764
409 P7V 0.8763
410 FWD 0.8763
411 H7S 0.8761
412 0ON 0.8760
413 CFA 0.8760
414 X6P 0.8758
415 5UD 0.8758
416 HBI 0.8758
417 KMY 0.8756
418 THM 0.8755
419 7N8 0.8754
420 NY4 0.8753
421 KDG 0.8753
422 1WC 0.8753
423 6HX 0.8752
424 4BX 0.8751
425 78Y 0.8750
426 4BY 0.8748
427 PIQ 0.8746
428 N4E 0.8746
429 JBZ 0.8745
430 HFA 0.8745
431 AMR 0.8745
432 1FL 0.8744
433 9R5 0.8742
434 DHC 0.8742
435 CS2 0.8741
436 7EH 0.8741
437 FHC 0.8740
438 68A 0.8740
439 6HO 0.8740
440 YIE 0.8736
441 SX2 0.8735
442 MTL 0.8735
443 TYL 0.8734
444 J84 0.8734
445 BHS 0.8734
446 PIM 0.8732
447 2GQ 0.8730
448 49O 0.8729
449 CWD 0.8729
450 LVY 0.8728
451 BMC 0.8728
452 89J 0.8727
453 SQP 0.8727
454 BWD 0.8724
455 6J9 0.8724
456 SBK 0.8720
457 2FX 0.8720
458 3Y7 0.8719
459 PYU 0.8716
460 MJW 0.8716
461 OLU 0.8713
462 K82 0.8713
463 90G 0.8712
464 A98 0.8711
465 28B 0.8711
466 I2E 0.8710
467 8UY 0.8710
468 BCK 0.8708
469 OA1 0.8708
470 CXH 0.8707
471 BZQ 0.8706
472 BTM 0.8705
473 MIL 0.8704
474 HBO 0.8703
475 AN3 0.8702
476 FBC 0.8702
477 IWD 0.8701
478 SOR 0.8701
479 VIB 0.8700
480 8YH 0.8698
481 A4Q 0.8697
482 2WU 0.8697
483 3C5 0.8696
484 5F8 0.8696
485 11X 0.8695
486 N91 0.8694
487 Y70 0.8693
488 XRS 0.8693
489 CUH 0.8693
490 ADN 0.8693
491 I5A 0.8692
492 MUK 0.8691
493 3D1 0.8689
494 TIH 0.8688
495 JCZ 0.8685
496 5AE 0.8684
497 R2P 0.8684
498 FF2 0.8683
499 S0E 0.8682
500 A4B 0.8681
501 UNJ 0.8680
502 WV7 0.8680
503 CLU 0.8680
504 5TO 0.8679
505 GO2 0.8675
506 BGU 0.8675
507 27M 0.8675
508 7MW 0.8675
509 5TY 0.8674
510 4Z3 0.8674
511 S60 0.8670
512 51Y 0.8669
513 SYD 0.8669
514 S98 0.8669
515 UA5 0.8667
516 6FG 0.8666
517 H70 0.8665
518 397 0.8665
519 IOP 0.8664
520 IQQ 0.8663
521 3R4 0.8662
522 UN3 0.8660
523 3AD 0.8658
524 3ZB 0.8658
525 2F6 0.8657
526 52C 0.8657
527 2K8 0.8656
528 TID 0.8655
529 8MP 0.8655
530 ARJ 0.8655
531 DCZ 0.8655
532 FT3 0.8654
533 4BL 0.8651
534 TZM 0.8651
535 K4V 0.8651
536 J47 0.8650
537 X29 0.8650
538 FT2 0.8648
539 AAN 0.8648
540 6C5 0.8646
541 38B 0.8644
542 HIS 0.8644
543 MZR 0.8643
544 ZTW 0.8642
545 NOC 0.8641
546 2LT 0.8641
547 BY5 0.8640
548 1EB 0.8639
549 A9O 0.8639
550 SHI 0.8637
551 9BF 0.8636
552 U2Z 0.8635
553 OTR 0.8634
554 CTD 0.8632
555 ZEC 0.8632
556 V1T 0.8632
557 QBS 0.8629
558 J6W 0.8629
559 EAJ 0.8626
560 DHY 0.8625
561 1DR 0.8624
562 5LA 0.8619
563 2O8 0.8617
564 A1Y 0.8614
565 4NS 0.8611
566 PCQ 0.8611
567 TGW 0.8610
568 Q06 0.8610
569 MR5 0.8610
570 IOS 0.8605
571 LNR 0.8604
572 NGA 0.8603
573 NIY 0.8601
574 92Y 0.8598
575 DJN 0.8596
576 M78 0.8595
577 7G0 0.8594
578 ATX 0.8591
579 QTD 0.8585
580 GZQ 0.8584
581 Y0V 0.8584
582 8NX 0.8582
583 PBQ 0.8580
584 MR4 0.8579
585 37E 0.8579
586 AMQ 0.8576
587 DVQ 0.8575
588 9W5 0.8568
589 3QV 0.8567
590 AFX 0.8564
591 TG6 0.8564
592 2QU 0.8563
593 MUR 0.8562
594 5FD 0.8560
595 7FZ 0.8560
596 TVZ 0.8560
597 4NP 0.8559
598 FDR 0.8558
599 1FD 0.8558
600 AP6 0.8556
601 CHQ 0.8555
602 1PS 0.8554
603 PLP 0.8551
604 5F1 0.8550
605 6C9 0.8549
606 FT1 0.8548
607 PNP 0.8547
608 XRX 0.8546
609 RYV 0.8545
610 OJD 0.8545
611 PO6 0.8542
612 A2G 0.8530
613 S0A 0.8530
614 Q2S 0.8526
615 549 0.8525
616 XYS XYP 0.8520
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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