Receptor
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
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+]
HRZ A:204;
A:205;
 Valid;
Valid;
 none;
none;
 Kd = 1.3 nM
95.099 C5 H5 N O C1=CC...
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: HRZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HRZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HRZ; Similar ligands found: 579
No: Ligand Similarity coefficient
1 IPH 1.0000
2 HAI 1.0000
3 7EX 1.0000
4 CXL 1.0000
5 CYH 1.0000
6 2IM 1.0000
7 V1L 1.0000
8 A2Q 1.0000
9 ASN 1.0000
10 MBN 1.0000
11 LGA 1.0000
12 HVK 1.0000
13 4AP 1.0000
14 3AP 1.0000
15 9PO 1.0000
16 WOT 1.0000
17 2AP 1.0000
18 GXE 0.9936
19 8CL 0.9936
20 L60 0.9890
21 HHN 0.9851
22 TTO 0.9845
23 93B 0.9830
24 1CB 0.9803
25 BAQ 0.9796
26 HSL 0.9793
27 3MT 0.9777
28 MZ0 0.9775
29 282 0.9766
30 PIH 0.9758
31 HGW 0.9756
32 AMT 0.9746
33 3TR 0.9732
34 HPY 0.9724
35 ECE 0.9723
36 DGY 0.9721
37 GBL 0.9720
38 5MP 0.9718
39 2MZ 0.9712
40 MR3 0.9708
41 DUC 0.9707
42 URA 0.9699
43 HOW 0.9697
44 4MZ 0.9697
45 MZY 0.9693
46 4JU 0.9691
47 LG3 0.9690
48 HYN 0.9682
49 ATQ 0.9680
50 2AI 0.9676
51 FPI 0.9676
52 1MZ 0.9672
53 3ZQ 0.9666
54 RCO 0.9662
55 CEJ 0.9662
56 CYT 0.9660
57 MB3 0.9656
58 26D 0.9656
59 KSW 0.9649
60 4XX 0.9648
61 PCR 0.9641
62 CRS 0.9635
63 284 0.9633
64 HQE 0.9633
65 LG4 0.9630
66 PLQ 0.9626
67 93Q 0.9624
68 HBX 0.9618
69 SYN 0.9616
70 LG5 0.9616
71 DA1 0.9611
72 5KX 0.9611
73 2MH 0.9608
74 8LG 0.9607
75 3CH 0.9605
76 XIX 0.9604
77 24T 0.9595
78 FPN 0.9594
79 PYF 0.9594
80 8GF 0.9592
81 NBE 0.9592
82 25R 0.9592
83 JZ6 0.9589
84 CAQ 0.9586
85 92Z 0.9584
86 BVF 0.9583
87 ICC 0.9583
88 3ZS 0.9582
89 1AN 0.9581
90 MMZ 0.9580
91 B20 0.9579
92 25T 0.9578
93 2KT 0.9577
94 BNZ 0.9572
95 NVI 0.9568
96 PXY 0.9568
97 AMC 0.9568
98 FP2 0.9564
99 DMI 0.9560
100 40O 0.9557
101 BEW 0.9556
102 BYZ 0.9555
103 JZ0 0.9552
104 APY 0.9546
105 938 0.9544
106 HIU 0.9541
107 4AX 0.9540
108 ES3 0.9538
109 P1R 0.9538
110 PY7 0.9537
111 0PY 0.9537
112 ABN 0.9534
113 285 0.9534
114 PHZ 0.9532
115 L89 0.9531
116 280 0.9529
117 TMZ 0.9527
118 DTI 0.9527
119 OXL 0.9526
120 4CH 0.9520
121 CIG 0.9518
122 HGQ 0.9515
123 BML 0.9513
124 HTS 0.9512
125 4HS 0.9505
126 DXX 0.9504
127 1DH 0.9498
128 4JN 0.9492
129 6SP 0.9492
130 OXM 0.9492
131 TMT 0.9491
132 PYZ 0.9489
133 H3M 0.9487
134 1MR 0.9480
135 DMG 0.9477
136 2CH 0.9476
137 76X 0.9473
138 2AF 0.9464
139 HHQ 0.9464
140 VAL 0.9463
141 GOL 0.9453
142 PYJ 0.9443
143 M3T 0.9441
144 SER 0.9441
145 HEW 0.9440
146 3PY 0.9437
147 4H2 0.9436
148 J1Z 0.9436
149 IDH 0.9434
150 BVG 0.9433
151 IOL 0.9430
152 B3R 0.9429
153 6X8 0.9425
154 BVC 0.9423
155 DSN 0.9411
156 MLA 0.9411
157 OXE 0.9410
158 9CL 0.9408
159 3OH 0.9405
160 KG7 0.9403
161 URF 0.9403
162 MLI 0.9403
163 E60 0.9386
164 C5J 0.9383
165 OXD 0.9377
166 RSF 0.9376
167 278 0.9358
168 GVH 0.9356
169 PYR 0.9356
170 CYS 0.9356
171 MAK 0.9353
172 HVQ 0.9352
173 3MC 0.9352
174 BZF 0.9349
175 RP7 0.9348
176 B24 0.9347
177 WBU 0.9346
178 4JP 0.9340
179 MCT 0.9338
180 BZI 0.9333
181 2EZ 0.9332
182 MPI 0.9329
183 MLM 0.9329
184 1MC 0.9324
185 TDR 0.9323
186 IND 0.9322
187 0R1 0.9322
188 LAC 0.9320
189 DAL 0.9317
190 KIV 0.9315
191 0CT 0.9314
192 ICP 0.9309
193 PYD 0.9309
194 4HO 0.9307
195 3FA 0.9306
196 1AC 0.9305
197 LZ1 0.9304
198 JZ3 0.9302
199 DEN 0.9301
200 HGY 0.9301
201 FPY 0.9299
202 PYG 0.9295
203 A1U 0.9292
204 275 0.9287
205 1PT 0.9281
206 2OP 0.9281
207 2C9 0.9281
208 MWM 0.9281
209 2AC 0.9281
210 FFP 0.9280
211 MBD 0.9278
212 4ZE 0.9266
213 XYP 0.9263
214 GMN 0.9261
215 FOA 0.9260
216 FLM 0.9259
217 OXQ 0.9257
218 ALA 0.9250
219 YAN 0.9244
220 5UC 0.9244
221 NK 0.9241
222 4CL 0.9241
223 XYD 0.9240
224 BR9 0.9234
225 TH0 0.9228
226 2MP 0.9228
227 TM4 0.9228
228 JBN 0.9227
229 XBZ 0.9225
230 2MY 0.9224
231 27Y 0.9223
232 34A 0.9222
233 PYC 0.9220
234 MZG 0.9216
235 4JJ 0.9216
236 6MH 0.9216
237 PYM 0.9215
238 R8A 0.9214
239 BUO 0.9211
240 3CE 0.9207
241 4JO 0.9202
242 JZ2 0.9201
243 YHO 0.9198
244 TM7 0.9194
245 BAL 0.9192
246 IDM 0.9191
247 PRO 0.9185
248 DUB 0.9184
249 P2D 0.9182
250 4DX 0.9181
251 HT4 0.9179
252 SMB 0.9179
253 DCY 0.9176
254 2YU 0.9176
255 PRI 0.9175
256 43M 0.9171
257 ABA 0.9170
258 BEZ 0.9168
259 MWJ 0.9165
260 2CM 0.9165
261 5MH 0.9165
262 WDL 0.9163
263 03W 0.9162
264 AX2 0.9159
265 BEN 0.9159
266 6UA 0.9158
267 0R0 0.9150
268 HY3 0.9148
269 5JC 0.9144
270 LXC 0.9144
271 5Y9 0.9143
272 MEU 0.9142
273 NEQ 0.9140
274 HUI 0.9139
275 2RA 0.9138
276 1DU 0.9136
277 MMU 0.9134
278 5AC 0.9133
279 3MH 0.9131
280 5AN 0.9127
281 IUR 0.9127
282 GAG 0.9127
283 GBD 0.9122
284 NIS 0.9122
285 A3B 0.9119
286 DBB 0.9119
287 QOS 0.9117
288 NCA 0.9117
289 2PC 0.9116
290 3AY 0.9116
291 TZC 0.9111
292 MLT 0.9108
293 286 0.9106
294 NIO 0.9106
295 NAK 0.9106
296 1XX 0.9103
297 5ZE 0.9101
298 13X 0.9097
299 0TR 0.9097
300 6PC 0.9094
301 XYS 0.9090
302 265 0.9089
303 PZA 0.9087
304 THR 0.9087
305 9X7 0.9083
306 ALO 0.9082
307 23W 0.9081
308 NBZ 0.9081
309 OHG 0.9079
310 SMV 0.9079
311 DE2 0.9077
312 JZ1 0.9077
313 HBA 0.9077
314 NCM 0.9075
315 2ZX 0.9071
316 JZ9 0.9070
317 TP5 0.9068
318 YCP 0.9067
319 BUA 0.9064
320 Y8I 0.9061
321 AHR 0.9058
322 TLD 0.9055
323 BAM 0.9055
324 192 0.9054
325 TFB 0.9052
326 BR8 0.9052
327 39J 0.9049
328 JAB 0.9047
329 273 0.9040
330 GOA 0.9036
331 VGL 0.9033
332 GLV 0.9030
333 2DR 0.9030
334 2HA 0.9029
335 3GR 0.9028
336 C2A 0.9024
337 LDU 0.9024
338 94N 0.9023
339 BP9 0.9020
340 RIP 0.9019
341 RIB 0.9015
342 ERH 0.9013
343 7CZ 0.8996
344 JZ5 0.8994
345 C21 0.8994
346 NTN 0.8993
347 EGD 0.8983
348 T2C 0.8983
349 AKR 0.8982
350 M58 0.8979
351 SAR 0.8979
352 UNU 0.8974
353 SS2 0.8969
354 FAH 0.8967
355 IT2 0.8966
356 QSC 0.8965
357 HPA 0.8963
358 PHB 0.8963
359 ADE 0.8962
360 GXV 0.8961
361 ALQ 0.8960
362 6MP 0.8959
363 HAE 0.8958
364 NHY 0.8953
365 1AB 0.8952
366 9DA 0.8949
367 R2B 0.8948
368 0MK 0.8948
369 JIF 0.8944
370 7HP 0.8944
371 4JL 0.8944
372 EDG 0.8943
373 9TY 0.8941
374 60P 0.8938
375 BAE 0.8937
376 LER 0.8934
377 4VP 0.8933
378 BP1 0.8929
379 GLY 0.8927
380 PM6 0.8924
381 ES4 0.8922
382 NIE 0.8921
383 AKB 0.8919
384 FUC 0.8918
385 C2N 0.8916
386 23A 0.8915
387 AAE 0.8915
388 9HX 0.8914
389 FLA 0.8914
390 HSE 0.8913
391 10L 0.8913
392 MGX 0.8912
393 O7U 0.8911
394 HBS 0.8910
395 64K 0.8909
396 ARA 0.8905
397 C2B 0.8903
398 R1X 0.8902
399 AGU 0.8902
400 DPR 0.8901
401 FBA 0.8900
402 MZW 0.8900
403 F50 0.8899
404 HVB 0.8897
405 MAE 0.8897
406 DAB 0.8897
407 SS1 0.8896
408 ARB 0.8893
409 NMU 0.8892
410 F3V 0.8891
411 IMR 0.8887
412 47J 0.8887
413 PAE 0.8887
414 DFB 0.8887
415 H8N 0.8886
416 PBC 0.8886
417 FUL 0.8886
418 7WA 0.8883
419 AC0 0.8877
420 2HE 0.8876
421 61G 0.8873
422 PPI 0.8871
423 4XR 0.8871
424 CP 0.8868
425 XAP 0.8866
426 BTE 0.8866
427 CHT 0.8865
428 TCZ 0.8865
429 LMR 0.8862
430 IFM 0.8862
431 7MH 0.8856
432 PCA 0.8855
433 IQ0 0.8846
434 PZO 0.8845
435 2A1 0.8844
436 BUQ 0.8844
437 ASP 0.8840
438 YTB 0.8836
439 BU4 0.8834
440 MRY 0.8832
441 AOA 0.8829
442 270 0.8829
443 KYD 0.8828
444 R3W 0.8826
445 AZF 0.8824
446 CRN 0.8822
447 51F 0.8820
448 TF4 0.8819
449 TRI 0.8817
450 IMD 0.8814
451 DFU 0.8813
452 4JM 0.8811
453 HUH 0.8810
454 SAL 0.8807
455 FW5 0.8805
456 OAA 0.8804
457 P92 0.8802
458 DTL 0.8794
459 F81 0.8792
460 BMD 0.8792
461 ITN 0.8791
462 JBE 0.8788
463 RSO 0.8786
464 2MI 0.8785
465 P3K 0.8785
466 OXZ 0.8784
467 T6C 0.8783
468 HCS 0.8783
469 M2H 0.8781
470 JFD 0.8780
471 F05 0.8780
472 PRS 0.8777
473 RUU 0.8776
474 1WD 0.8776
475 PPF 0.8768
476 6HQ 0.8766
477 NMJ 0.8766
478 AX7 0.8765
479 SSN 0.8764
480 SEJ 0.8764
481 14J 0.8759
482 BNS 0.8758
483 CIZ 0.8753
484 IP0 0.8751
485 BZX 0.8750
486 3Z7 0.8749
487 PBE 0.8747
488 VNJ 0.8746
489 FAN 0.8744
490 BE2 0.8744
491 HSM 0.8742
492 6AI 0.8740
493 3U4 0.8737
494 9YL 0.8733
495 3XX 0.8731
496 4SV 0.8731
497 8NY 0.8730
498 3HR 0.8729
499 HLR 0.8729
500 9EW 0.8728
501 ABE 0.8727
502 TAY 0.8727
503 TSZ 0.8726
504 SVN 0.8726
505 H4N 0.8724
506 QUZ 0.8716
507 1DQ 0.8715
508 69O 0.8714
509 ATO 0.8714
510 3HL 0.8713
511 40E 0.8712
512 ITU 0.8711
513 FYU 0.8706
514 SIN 0.8705
515 FUF 0.8705
516 ZZT 0.8697
517 271 0.8696
518 ES6 0.8696
519 3SK 0.8695
520 DTU 0.8694
521 CEE 0.8691
522 ES9 0.8690
523 FK1 0.8686
524 NPY 0.8684
525 HYP 0.8684
526 5H1 0.8683
527 2K4 0.8681
528 AGK 0.8681
529 ETF 0.8679
530 24B 0.8678
531 TBP 0.8677
532 PXO 0.8674
533 11S 0.8669
534 F60 0.8669
535 5MI 0.8666
536 IVA 0.8665
537 PEL 0.8665
538 0RW 0.8664
539 5MB 0.8663
540 8H8 0.8658
541 14O 0.8655
542 FUB 0.8650
543 MRZ 0.8647
544 JZ7 0.8643
545 H76 0.8642
546 S76 0.8641
547 KOJ 0.8638
548 ALF 0.8633
549 1WG 0.8631
550 HV2 0.8630
551 JKE 0.8630
552 260 0.8626
553 GIF 0.8626
554 HMH 0.8624
555 HY1 0.8624
556 PEA 0.8621
557 1DW 0.8618
558 FCN 0.8616
559 150 0.8608
560 2CQ 0.8608
561 BXA 0.8595
562 ABV 0.8594
563 JAE 0.8592
564 SGL 0.8592
565 PAV 0.8590
566 BRP 0.8586
567 MTG 0.8582
568 45C 0.8580
569 8GC 0.8580
570 Z6J 0.8572
571 7WV 0.8570
572 4ZC 0.8568
573 HLT 0.8566
574 FCA 0.8560
575 HX3 0.8542
576 261 0.8536
577 2CK 0.8529
578 35C 0.8520
579 SWD 0.8518
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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