Receptor
PDB id Resolution Class Description Source Keywords
6TX7 1.13 Å EC: 5.2.1.8 CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN WITH 2-PIPERIDONE HOMO SAPIENS PPIASE FRAGMENT ISOMERASE
Ref.: HYBRID SCREENING APPROACH FOR VERY SMALL FRAGMENTS: AND COMPUTATIONAL SCREENING ON FKBP51. J.MED.CHEM. V. 63 5856 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:202;
A:203;
 Invalid;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
V1L A:204;
A:205;
 Valid;
Valid;
 none;
none;
 Kd = 2.7 nM
99.131 C5 H9 N O C1CCN...
CL A:201;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TX4 1.06 Å EC: 5.2.1.8 CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN WITH 2-PYRIDONE HOMO SAPIENS PPIASE FRAGMENT ISOMERASE
Ref.: HYBRID SCREENING APPROACH FOR VERY SMALL FRAGMENTS: AND COMPUTATIONAL SCREENING ON FKBP51. J.MED.CHEM. V. 63 5856 2020
Members (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 4JFK Kd = 0.36 uM JFK C25 H29 N3 O7 S2 COc1ccc(cc....
2 4JFJ Ki = 2.1 uM 1KU C25 H29 N3 O6 S2 COc1ccc(cc....
3 4DRO ic50 = 3.9 uM 0MD C35 H45 N O10 CC[C@H]1CC....
4 6TXX - 37K C46 H60 N2 O10 COc1ccc(cc....
5 6TX7 Kd = 2.7 nM V1L C5 H9 N O C1CCNC(=O)....
6 6SAF Ki = 0.23 uM L2Q C40 H54 N2 O8 COc1ccc(cc....
7 4DRP ic50 = 3.9 uM 0MD C35 H45 N O10 CC[C@H]1CC....
8 6TX4 Kd = 1.3 nM HRZ C5 H5 N O C1=CC(=O)N....
9 4TX0 Ki = 132 nM 384 C20 H28 Cl2 N2 O6 S COCCN1C[C@....
10 6TX5 Kd = 2.9 nM 4MZ C4 H6 N2 Cc1c[nH]cn....
11 4DRQ ic50 = 22.6 uM 0OS C31 H33 Cl2 N O9 S COc1ccc(cc....
12 4W9O - 3JQ C26 H32 Cl2 N2 O8 S COc1ccc(cc....
13 4TW6 Ki = 61000 nM 37L C39 H47 N O11 COc1ccc(cc....
14 4JFI Ki = 18.1 uM 1KT C28 H32 N2 O8 COc1cc2c(c....
15 5OBK - 9QN C21 H23 Cl2 N3 O4 S c1ccnc(c1)....
16 4JFL Kd = 10.5 uM 1KY C24 H27 N3 O7 S2 COc1ccc(cc....
17 4W9Q - 3JP C26 H32 Cl2 N2 O6 S CC[C@H]1CN....
18 5DIT Ki = 0.7 uM 5B8 C39 H56 N2 O8 C[C@H]([C@....
19 5BXJ Kd = 0.000227 M NPO C6 H5 N O3 c1cc(ccc1[....
20 5DIU Ki = 0.043 uM 5BG C42 H54 N2 O10 COc1ccc(cc....
21 3O5R - FK5 C44 H69 N O12 C[C@@H]1C[....
22 4W9P - 3JR C26 H32 Cl2 N2 O8 S COc1ccc(cc....
23 4JFM Kd = 3.3 uM 1KZ C23 H26 N2 O8 S2 COc1ccc(cc....
24 6TX9 - HYN C3 H4 N2 O2 C1C(=O)NC(....
25 4DRM ic50 = 5.8 uM 0MC C35 H45 N O10 CC[C@@H]1C....
26 4DRK ic50 = 8.36 uM I63 C32 H41 N O9 CCC(C)(C)C....
27 6TX6 - NCA C6 H6 N2 O c1cc(cnc1)....
28 5DIV Ki = 0.14 uM 5BH C29 H43 N3 O6 COc1cc(cc(....
29 4DRN ic50 = 5.8 uM 0MC C35 H45 N O10 CC[C@@H]1C....
30 4TW7 Ki = 26 nM 37K C46 H60 N2 O10 COc1ccc(cc....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4JFK Kd = 0.36 uM JFK C25 H29 N3 O7 S2 COc1ccc(cc....
2 4JFJ Ki = 2.1 uM 1KU C25 H29 N3 O6 S2 COc1ccc(cc....
3 4DRO ic50 = 3.9 uM 0MD C35 H45 N O10 CC[C@H]1CC....
4 6TXX - 37K C46 H60 N2 O10 COc1ccc(cc....
5 6TX7 Kd = 2.7 nM V1L C5 H9 N O C1CCNC(=O)....
6 6SAF Ki = 0.23 uM L2Q C40 H54 N2 O8 COc1ccc(cc....
7 4DRP ic50 = 3.9 uM 0MD C35 H45 N O10 CC[C@H]1CC....
8 6TX4 Kd = 1.3 nM HRZ C5 H5 N O C1=CC(=O)N....
9 4TX0 Ki = 132 nM 384 C20 H28 Cl2 N2 O6 S COCCN1C[C@....
10 6TX5 Kd = 2.9 nM 4MZ C4 H6 N2 Cc1c[nH]cn....
11 4DRQ ic50 = 22.6 uM 0OS C31 H33 Cl2 N O9 S COc1ccc(cc....
12 4W9O - 3JQ C26 H32 Cl2 N2 O8 S COc1ccc(cc....
13 4TW6 Ki = 61000 nM 37L C39 H47 N O11 COc1ccc(cc....
14 4JFI Ki = 18.1 uM 1KT C28 H32 N2 O8 COc1cc2c(c....
15 5OBK - 9QN C21 H23 Cl2 N3 O4 S c1ccnc(c1)....
16 4JFL Kd = 10.5 uM 1KY C24 H27 N3 O7 S2 COc1ccc(cc....
17 4W9Q - 3JP C26 H32 Cl2 N2 O6 S CC[C@H]1CN....
18 5DIT Ki = 0.7 uM 5B8 C39 H56 N2 O8 C[C@H]([C@....
19 5BXJ Kd = 0.000227 M NPO C6 H5 N O3 c1cc(ccc1[....
20 5DIU Ki = 0.043 uM 5BG C42 H54 N2 O10 COc1ccc(cc....
21 3O5R - FK5 C44 H69 N O12 C[C@@H]1C[....
22 4W9P - 3JR C26 H32 Cl2 N2 O8 S COc1ccc(cc....
23 4JFM Kd = 3.3 uM 1KZ C23 H26 N2 O8 S2 COc1ccc(cc....
24 6TX9 - HYN C3 H4 N2 O2 C1C(=O)NC(....
25 4DRM ic50 = 5.8 uM 0MC C35 H45 N O10 CC[C@@H]1C....
26 4DRK ic50 = 8.36 uM I63 C32 H41 N O9 CCC(C)(C)C....
27 6TX6 - NCA C6 H6 N2 O c1cc(cnc1)....
28 5DIV Ki = 0.14 uM 5BH C29 H43 N3 O6 COc1cc(cc(....
29 4DRN ic50 = 5.8 uM 0MC C35 H45 N O10 CC[C@@H]1C....
30 4TW7 Ki = 26 nM 37K C46 H60 N2 O10 COc1ccc(cc....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1PBK Ki = 0.9 nM RAP C51 H79 N O13 C[C@@H]1CC....
2 5D75 Ki = 200 nM FK5 C44 H69 N O12 C[C@@H]1C[....
3 4JFJ Ki = 2.1 uM 1KU C25 H29 N3 O6 S2 COc1ccc(cc....
4 4DRO ic50 = 3.9 uM 0MD C35 H45 N O10 CC[C@H]1CC....
5 6TXX - 37K C46 H60 N2 O10 COc1ccc(cc....
6 6TX7 Kd = 2.7 nM V1L C5 H9 N O C1CCNC(=O)....
7 6SAF Ki = 0.23 uM L2Q C40 H54 N2 O8 COc1ccc(cc....
8 4DRP ic50 = 3.9 uM 0MD C35 H45 N O10 CC[C@H]1CC....
9 6TX4 Kd = 1.3 nM HRZ C5 H5 N O C1=CC(=O)N....
10 4TX0 Ki = 132 nM 384 C20 H28 Cl2 N2 O6 S COCCN1C[C@....
11 6TX5 Kd = 2.9 nM 4MZ C4 H6 N2 Cc1c[nH]cn....
12 4DRQ ic50 = 22.6 uM 0OS C31 H33 Cl2 N O9 S COc1ccc(cc....
13 4W9O - 3JQ C26 H32 Cl2 N2 O8 S COc1ccc(cc....
14 4TW6 Ki = 61000 nM 37L C39 H47 N O11 COc1ccc(cc....
15 4JFI Ki = 18.1 uM 1KT C28 H32 N2 O8 COc1cc2c(c....
16 5OBK - 9QN C21 H23 Cl2 N3 O4 S c1ccnc(c1)....
17 4JFL Kd = 10.5 uM 1KY C24 H27 N3 O7 S2 COc1ccc(cc....
18 4W9Q - 3JP C26 H32 Cl2 N2 O6 S CC[C@H]1CN....
19 5DIT Ki = 0.7 uM 5B8 C39 H56 N2 O8 C[C@H]([C@....
20 5BXJ Kd = 0.000227 M NPO C6 H5 N O3 c1cc(ccc1[....
21 5DIU Ki = 0.043 uM 5BG C42 H54 N2 O10 COc1ccc(cc....
22 3O5R - FK5 C44 H69 N O12 C[C@@H]1C[....
23 4W9P - 3JR C26 H32 Cl2 N2 O8 S COc1ccc(cc....
24 4JFM Kd = 3.3 uM 1KZ C23 H26 N2 O8 S2 COc1ccc(cc....
25 6TX9 - HYN C3 H4 N2 O2 C1C(=O)NC(....
26 4DRM ic50 = 5.8 uM 0MC C35 H45 N O10 CC[C@@H]1C....
27 4DRK ic50 = 8.36 uM I63 C32 H41 N O9 CCC(C)(C)C....
28 6TX6 - NCA C6 H6 N2 O c1cc(cnc1)....
29 5DIV Ki = 0.14 uM 5BH C29 H43 N3 O6 COc1cc(cc(....
30 4DRN ic50 = 5.8 uM 0MC C35 H45 N O10 CC[C@@H]1C....
31 4TW7 Ki = 26 nM 37K C46 H60 N2 O10 COc1ccc(cc....
32 2DG9 - RAP C51 H79 N O13 C[C@@H]1CC....
33 1D7J Kd = 500 uM BUQ C4 H8 O2 CC(=O)CCO
34 1BKF Ki = 2.1 nM FK5 C44 H69 N O12 C[C@@H]1C[....
35 2FKE - FK5 C44 H69 N O12 C[C@@H]1C[....
36 1QPF ic50 = 27 nM 858 C53 H78 N2 O12 CC[C@@H]1C....
37 1FKJ - FK5 C44 H69 N O12 C[C@@H]1C[....
38 1J4H - SUB C23 H28 N2 O5 S2 CCOC(=O)C(....
39 1FKF Kd = 0.4 nM FK5 C44 H69 N O12 C[C@@H]1C[....
40 2DG3 - RAP C51 H79 N O13 C[C@@H]1CC....
41 1FKI Ki = 100 nM SB1 C24 H39 N O6 CC1(COC(=O....
42 1FKL - RAP C51 H79 N O13 C[C@@H]1CC....
43 1FKH Ki = 7 nM SBX C28 H41 N O4 CCC(C)(C)C....
44 1A7X Kd = 0.2 nM FKA C51 H76 N2 O14 C[C@@H]1C[....
45 1D7I Kd = 250 uM DSS C3 H8 O S2 CSC[S@@](=....
46 1FKB Kd = 0.2 nM RAP C51 H79 N O13 C[C@@H]1CC....
47 1FKG Ki = 10 nM SB3 C28 H35 N O4 CCC(C)(C)C....
48 1J4I - TST C18 H26 N2 O5 S2 Cc1ccc(cc1....
49 1BL4 ic50 = 1.8 nM AP1 C38 H47 N O11 CC[C@@H](c....
50 1FKD - 818 C43 H69 N O13 CC[C@@H]1C....
51 2DG4 - RAP C51 H79 N O13 C[C@@H]1CC....
52 1J4R Ki = 0.019 uM 001 C35 H42 F2 N2 O6 COc1cc(cc(....
53 1C9H - RAP C51 H79 N O13 C[C@@H]1CC....
54 5HKG - RAP C51 H79 N O13 C[C@@H]1CC....
55 4J4O - D44 C16 H16 N4 O S CCc1ccccc1....
56 3IHZ ic50 = 160 nM FK5 C44 H69 N O12 C[C@@H]1C[....
57 2VN1 - FK5 C44 H69 N O12 C[C@@H]1C[....
58 4QT2 ic50 = 0.48 uM RAP C51 H79 N O13 C[C@@H]1CC....
59 4QT3 ic50 = 0.48 uM RAP C51 H79 N O13 C[C@@H]1CC....
60 5HWC - FK5 C44 H69 N O12 C[C@@H]1C[....
61 5HUA - FK5 C44 H69 N O12 C[C@@H]1C[....
62 1YAT - FK5 C44 H69 N O12 C[C@@H]1C[....
63 6J2M - FK5 C44 H69 N O12 C[C@@H]1C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: V1L; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 V1L 1 1
2 BAQ 0.7 0.862069
3 ICC 0.615385 0.892857
4 ACA ACA 0.615385 0.735294
5 L60 0.434783 0.648649
Similar Ligands (3D)
Ligand no: 1; Ligand: V1L; Similar ligands found: 563
No: Ligand Similarity coefficient
1 MBN 1.0000
2 2IM 1.0000
3 7EX 1.0000
4 CXL 1.0000
5 HAI 1.0000
6 CYH 1.0000
7 A2Q 1.0000
8 8CL 1.0000
9 3AP 1.0000
10 4AP 1.0000
11 WOT 1.0000
12 IPH 1.0000
13 GXE 1.0000
14 LGA 1.0000
15 HVK 1.0000
16 HRZ 1.0000
17 2AP 1.0000
18 9PO 1.0000
19 TTO 0.9983
20 HHN 0.9920
21 93B 0.9905
22 AMT 0.9882
23 3MT 0.9869
24 PIH 0.9857
25 3TR 0.9808
26 HGW 0.9802
27 CEJ 0.9797
28 ATQ 0.9791
29 MZY 0.9783
30 URA 0.9780
31 CYT 0.9780
32 1AN 0.9779
33 MR3 0.9771
34 HYN 0.9769
35 ECE 0.9766
36 RCO 0.9763
37 KSW 0.9761
38 HOW 0.9757
39 1CB 0.9757
40 5MP 0.9752
41 GBL 0.9748
42 8GF 0.9743
43 PLQ 0.9741
44 26D 0.9738
45 FPN 0.9738
46 282 0.9737
47 6SP 0.9729
48 2AI 0.9728
49 HQE 0.9722
50 HBX 0.9718
51 HPY 0.9711
52 2MZ 0.9709
53 LG3 0.9709
54 SYN 0.9707
55 NBE 0.9706
56 FP2 0.9698
57 DUC 0.9698
58 25R 0.9696
59 DA1 0.9695
60 LG5 0.9692
61 PCR 0.9691
62 CRS 0.9690
63 MB3 0.9685
64 BNZ 0.9683
65 LG4 0.9677
66 PXY 0.9670
67 AMC 0.9666
68 B20 0.9665
69 CIG 0.9665
70 3CH 0.9663
71 BEW 0.9663
72 XIX 0.9658
73 25T 0.9651
74 PYF 0.9648
75 PHZ 0.9644
76 PY7 0.9643
77 0PY 0.9640
78 93Q 0.9639
79 5KX 0.9635
80 HGQ 0.9630
81 MMZ 0.9629
82 ABN 0.9628
83 24T 0.9622
84 BVF 0.9617
85 3ZQ 0.9616
86 TMT 0.9615
87 E60 0.9610
88 J1Z 0.9608
89 P1R 0.9603
90 4CH 0.9603
91 HTS 0.9595
92 CAQ 0.9594
93 3PY 0.9586
94 1MR 0.9585
95 IDH 0.9583
96 4JU 0.9579
97 MLA 0.9578
98 B3R 0.9572
99 HSL 0.9569
100 4JN 0.9563
101 2MH 0.9563
102 4XX 0.9561
103 FPI 0.9561
104 9CL 0.9559
105 2CH 0.9557
106 BML 0.9551
107 284 0.9549
108 40O 0.9549
109 TMZ 0.9547
110 1DH 0.9546
111 MLI 0.9542
112 HEW 0.9540
113 PYJ 0.9538
114 M3T 0.9534
115 4HS 0.9528
116 HHQ 0.9528
117 APY 0.9526
118 DXX 0.9512
119 ES3 0.9512
120 MAK 0.9508
121 GVH 0.9507
122 H3M 0.9502
123 URF 0.9501
124 1MZ 0.9500
125 DMI 0.9498
126 WBU 0.9497
127 3MC 0.9493
128 IOL 0.9490
129 0CT 0.9489
130 RP7 0.9489
131 BVC 0.9488
132 DSN 0.9483
133 OXE 0.9476
134 6X8 0.9474
135 TDR 0.9473
136 BZI 0.9472
137 2RA 0.9472
138 4JP 0.9471
139 1MC 0.9470
140 4H2 0.9466
141 LZ1 0.9464
142 MPI 0.9464
143 0R1 0.9459
144 938 0.9455
145 IND 0.9455
146 SER 0.9451
147 OXL 0.9450
148 PRI 0.9450
149 BZF 0.9448
150 4DX 0.9442
151 MZ0 0.9440
152 285 0.9440
153 8LG 0.9439
154 PYG 0.9437
155 DTI 0.9436
156 BVG 0.9432
157 4AX 0.9430
158 PYD 0.9428
159 ICP 0.9428
160 DBB 0.9426
161 A3B 0.9426
162 B24 0.9423
163 HUI 0.9422
164 L89 0.9420
165 C5J 0.9419
166 3ZS 0.9419
167 XYS 0.9417
168 4ZE 0.9416
169 HIU 0.9413
170 76X 0.9410
171 3FA 0.9409
172 FPY 0.9409
173 FFP 0.9408
174 DEN 0.9403
175 JZ0 0.9400
176 HVQ 0.9389
177 2KT 0.9385
178 DGY 0.9385
179 275 0.9383
180 2AF 0.9383
181 92Z 0.9382
182 DMG 0.9380
183 FLM 0.9378
184 3OH 0.9374
185 JZ3 0.9372
186 TH0 0.9368
187 GMN 0.9367
188 280 0.9362
189 IDM 0.9360
190 MBD 0.9359
191 5UC 0.9357
192 PYR 0.9352
193 NK 0.9346
194 6MH 0.9345
195 GOL 0.9342
196 2MP 0.9340
197 TM4 0.9340
198 OXD 0.9340
199 2C9 0.9339
200 34A 0.9336
201 KG7 0.9332
202 OXM 0.9331
203 4MZ 0.9330
204 2OP 0.9328
205 XYP 0.9326
206 VAL 0.9323
207 SMB 0.9322
208 2MY 0.9319
209 MLT 0.9314
210 BAL 0.9306
211 ALA 0.9302
212 03W 0.9298
213 KIV 0.9297
214 DUB 0.9296
215 YAN 0.9296
216 LAC 0.9294
217 MRY 0.9288
218 3CE 0.9287
219 43M 0.9287
220 BUQ 0.9283
221 DAL 0.9280
222 2CM 0.9277
223 3MH 0.9274
224 4JO 0.9273
225 HGY 0.9270
226 278 0.9264
227 FOA 0.9263
228 0TR 0.9258
229 BUA 0.9258
230 R8A 0.9257
231 WDL 0.9257
232 PRO 0.9254
233 YHO 0.9248
234 AX2 0.9247
235 GBD 0.9245
236 2PC 0.9237
237 JZ9 0.9234
238 OXQ 0.9233
239 THR 0.9231
240 NVI 0.9230
241 3AY 0.9229
242 6UA 0.9227
243 2EZ 0.9226
244 0R0 0.9225
245 AKB 0.9221
246 1PT 0.9218
247 PYC 0.9214
248 MMU 0.9213
249 286 0.9213
250 EDG 0.9213
251 BEN 0.9212
252 ALO 0.9203
253 NIO 0.9198
254 IUR 0.9193
255 RSF 0.9192
256 SMV 0.9190
257 DE2 0.9189
258 BEZ 0.9188
259 39J 0.9187
260 NBZ 0.9187
261 5ZE 0.9186
262 1AC 0.9185
263 MLM 0.9180
264 13X 0.9178
265 1XX 0.9177
266 265 0.9176
267 NCA 0.9174
268 5Y9 0.9170
269 5AN 0.9169
270 MEU 0.9169
271 LER 0.9160
272 JBN 0.9158
273 BUO 0.9156
274 HBA 0.9152
275 5AC 0.9150
276 HDA 0.9148
277 BU4 0.9145
278 R2B 0.9144
279 R1X 0.9144
280 GAG 0.9143
281 6PC 0.9136
282 PYM 0.9136
283 DAB 0.9133
284 ERH 0.9132
285 PZA 0.9130
286 SAR 0.9129
287 IMR 0.9126
288 2HE 0.9126
289 TP5 0.9125
290 JZ6 0.9119
291 TM7 0.9118
292 BR8 0.9116
293 TFB 0.9112
294 GOA 0.9112
295 NIS 0.9107
296 27Y 0.9106
297 4HO 0.9103
298 BAM 0.9103
299 CYS 0.9102
300 94N 0.9102
301 ALQ 0.9099
302 DPR 0.9098
303 HPA 0.9097
304 SS2 0.9095
305 MCT 0.9095
306 C21 0.9094
307 PRS 0.9091
308 64K 0.9091
309 OHG 0.9089
310 60P 0.9079
311 ADE 0.9079
312 GXV 0.9079
313 BR9 0.9077
314 LXC 0.9077
315 1AB 0.9075
316 TZC 0.9074
317 UNU 0.9073
318 HBS 0.9073
319 JZ1 0.9073
320 MZG 0.9072
321 C2N 0.9071
322 LDU 0.9069
323 P2D 0.9065
324 MWJ 0.9062
325 3HL 0.9061
326 HT4 0.9060
327 7HP 0.9058
328 T2C 0.9055
329 SSN 0.9053
330 9HX 0.9052
331 VGL 0.9050
332 Y8I 0.9050
333 DTL 0.9049
334 NAK 0.9049
335 XBZ 0.9046
336 273 0.9045
337 HY3 0.9043
338 JIF 0.9041
339 PM6 0.9040
340 10L 0.9038
341 6MP 0.9037
342 5MH 0.9037
343 AAE 0.9037
344 O7U 0.9034
345 MAE 0.9032
346 IQ0 0.9030
347 5JC 0.9029
348 A1U 0.9028
349 NTN 0.9028
350 SIN 0.9027
351 JZ5 0.9025
352 DCY 0.9025
353 QOS 0.9025
354 7CZ 0.9024
355 MWM 0.9023
356 1DU 0.9022
357 NEQ 0.9021
358 M58 0.9020
359 FAH 0.9018
360 GLV 0.9018
361 IVA 0.9016
362 2DR 0.9010
363 YCP 0.9010
364 2AC 0.9009
365 TCZ 0.9004
366 PHB 0.9001
367 XYD 0.8998
368 9TY 0.8998
369 NCM 0.8997
370 C2A 0.8997
371 PAE 0.8995
372 RIB 0.8993
373 9X7 0.8991
374 ASP 0.8986
375 BYZ 0.8985
376 JAB 0.8985
377 TLD 0.8985
378 HAE 0.8983
379 4CL 0.8982
380 7WA 0.8982
381 BAE 0.8976
382 23W 0.8972
383 BP1 0.8970
384 SS1 0.8970
385 QSC 0.8970
386 3HR 0.8968
387 ABA 0.8967
388 IT2 0.8966
389 ARA 0.8966
390 H8N 0.8965
391 270 0.8964
392 23A 0.8964
393 ARB 0.8964
394 6HQ 0.8960
395 JZ2 0.8960
396 FBA 0.8959
397 OAA 0.8952
398 AGU 0.8949
399 IFM 0.8949
400 NIE 0.8949
401 4JJ 0.8947
402 NHY 0.8947
403 GLY 0.8947
404 CHT 0.8946
405 MZW 0.8945
406 BTE 0.8945
407 3GR 0.8941
408 2YU 0.8938
409 47J 0.8938
410 PBC 0.8937
411 AHR 0.8934
412 AC0 0.8932
413 OXZ 0.8932
414 2ZX 0.8929
415 MRZ 0.8925
416 RIP 0.8920
417 4JL 0.8920
418 2HA 0.8916
419 PPI 0.8915
420 NMU 0.8914
421 PYZ 0.8914
422 0MK 0.8914
423 FJO 0.8908
424 CIZ 0.8907
425 AZF 0.8907
426 AKR 0.8905
427 F3V 0.8901
428 DFU 0.8899
429 3U4 0.8897
430 F81 0.8894
431 JBE 0.8885
432 PCA 0.8880
433 3BB 0.8879
434 FLA 0.8877
435 TF4 0.8877
436 HVB 0.8872
437 NMG 0.8870
438 AX7 0.8864
439 DFB 0.8864
440 HLR 0.8862
441 AGK 0.8860
442 F05 0.8860
443 C2B 0.8860
444 M2H 0.8859
445 RUU 0.8859
446 YTB 0.8858
447 PZO 0.8856
448 SEJ 0.8851
449 F50 0.8851
450 SAL 0.8850
451 CRN 0.8849
452 BNS 0.8849
453 FUF 0.8844
454 LMR 0.8843
455 CP 0.8841
456 61G 0.8838
457 1WD 0.8832
458 R3W 0.8830
459 BZX 0.8829
460 DTU 0.8828
461 ITN 0.8826
462 ABE 0.8822
463 BE2 0.8821
464 HUH 0.8818
465 BP9 0.8817
466 192 0.8813
467 4SV 0.8800
468 4JM 0.8797
469 4VP 0.8796
470 IP0 0.8793
471 URP 0.8791
472 3XX 0.8790
473 3SK 0.8788
474 HZP 0.8788
475 BMD 0.8786
476 JZ7 0.8779
477 ES6 0.8778
478 9EW 0.8774
479 8H8 0.8770
480 14J 0.8770
481 KYD 0.8768
482 51F 0.8767
483 RSO 0.8766
484 FUC 0.8766
485 1DQ 0.8765
486 JKE 0.8765
487 VNJ 0.8758
488 4XR 0.8756
489 98J 0.8756
490 POA 0.8751
491 ATO 0.8748
492 2A1 0.8748
493 FW5 0.8747
494 NMJ 0.8742
495 Z6J 0.8738
496 FCN 0.8737
497 FCA 0.8734
498 CEE 0.8732
499 PPF 0.8727
500 TSZ 0.8724
501 UY7 0.8721
502 CSS 0.8720
503 HV2 0.8718
504 TAY 0.8716
505 FUL 0.8713
506 32O 0.8709
507 HY1 0.8706
508 3Z7 0.8696
509 HYP 0.8693
510 PUT 0.8693
511 2CK 0.8692
512 ALF 0.8691
513 FAN 0.8690
514 KPL 0.8689
515 HSM 0.8689
516 FYU 0.8688
517 PBE 0.8684
518 TAR 0.8682
519 ZZT 0.8681
520 HMH 0.8681
521 T6C 0.8671
522 3CL 0.8669
523 J3K 0.8666
524 24B 0.8666
525 3NT 0.8664
526 KOJ 0.8661
527 271 0.8659
528 PEL 0.8659
529 7MH 0.8659
530 HX3 0.8658
531 ETF 0.8656
532 260 0.8653
533 PAF 0.8653
534 H76 0.8644
535 PAV 0.8641
536 ICN 0.8633
537 HMU 0.8631
538 L3Q 0.8630
539 BTL 0.8624
540 HLT 0.8621
541 PEA 0.8619
542 NSP 0.8618
543 Z82 0.8618
544 ITU 0.8617
545 6M4 0.8609
546 261 0.8608
547 DTT 0.8606
548 NPO 0.8604
549 CXF 0.8602
550 GAB 0.8601
551 URQ 0.8598
552 8GC 0.8591
553 HSE 0.8590
554 AUD 0.8586
555 TH7 0.8584
556 Q88 0.8578
557 PTO 0.8574
558 UYA 0.8568
559 FQI 0.8567
560 IHG 0.8564
561 53C 0.8542
562 OVV 0.8538
563 TLA 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6TX4; Ligand: HRZ; 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: 6tx4.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6TX4; Ligand: HRZ; 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: 6tx4.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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