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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PG0 | 1 | 1 |
2 | 15P | 0.909091 | 0.923077 |
3 | 7PG | 0.909091 | 0.923077 |
4 | P15 | 0.909091 | 0.923077 |
5 | PEU | 0.909091 | 0.923077 |
6 | TOE | 0.909091 | 0.96 |
7 | ETE | 0.909091 | 0.96 |
8 | 1PG | 0.909091 | 0.923077 |
9 | PGE | 0.619048 | 0.769231 |
10 | M2M | 0.619048 | 0.8 |
11 | PG5 | 0.590909 | 0.769231 |
12 | P6G | 0.590909 | 0.740741 |
13 | PG6 | 0.590909 | 0.740741 |
14 | 12P | 0.590909 | 0.740741 |
15 | P33 | 0.590909 | 0.740741 |
16 | PE8 | 0.590909 | 0.740741 |
17 | PE3 | 0.590909 | 0.740741 |
18 | 2PE | 0.590909 | 0.740741 |
19 | 33O | 0.590909 | 0.740741 |
20 | XPE | 0.590909 | 0.740741 |
21 | 1PE | 0.590909 | 0.740741 |
22 | PG4 | 0.590909 | 0.769231 |
23 | PEG | 0.52381 | 0.8 |
24 | MXE | 0.52381 | 0.791667 |
25 | AE3 | 0.518519 | 0.846154 |
26 | FWN | 0.5 | 0.814815 |
27 | AE4 | 0.5 | 0.785714 |
28 | P4K | 0.5 | 0.785714 |
29 | PE5 | 0.5 | 0.785714 |
30 | 7PE | 0.5 | 0.785714 |
31 | PE4 | 0.5 | 0.785714 |
32 | PGF | 0.464286 | 0.714286 |
33 | ME2 | 0.464286 | 0.740741 |
34 | PE7 | 0.448276 | 0.714286 |
35 | ETX | 0.4 | 0.730769 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OCT | 1.0000 |
2 | BHL | 0.9822 |
3 | BHL BHL | 0.9822 |
4 | 16D | 0.9760 |
5 | O8Y | 0.9676 |
6 | HE4 | 0.9651 |
7 | HP6 | 0.9641 |
8 | AG2 | 0.9584 |
9 | YIV | 0.9583 |
10 | HPN | 0.9568 |
11 | MHN | 0.9548 |
12 | HE2 | 0.9524 |
13 | 266 | 0.9521 |
14 | HTX | 0.9520 |
15 | NSD | 0.9514 |
16 | ACA | 0.9486 |
17 | KQY | 0.9479 |
18 | N6C | 0.9464 |
19 | OYA | 0.9453 |
20 | 5XA | 0.9432 |
21 | GUA | 0.9427 |
22 | 4SD | 0.9425 |
23 | OC9 | 0.9415 |
24 | BHH | 0.9408 |
25 | 6NA | 0.9385 |
26 | 49F | 0.9385 |
27 | 3OL | 0.9383 |
28 | SHV | 0.9378 |
29 | NTU | 0.9376 |
30 | GLU | 0.9372 |
31 | NBN | 0.9366 |
32 | HX2 | 0.9364 |
33 | PG3 | 0.9356 |
34 | DAV | 0.9352 |
35 | FUM | 0.9350 |
36 | 4HA | 0.9347 |
37 | 1KA | 0.9335 |
38 | SIN | 0.9324 |
39 | SSN | 0.9315 |
40 | LEA | 0.9312 |
41 | ORN | 0.9311 |
42 | IXW | 0.9310 |
43 | GLY GLY | 0.9304 |
44 | AKG | 0.9298 |
45 | 0VT | 0.9294 |
46 | PUT | 0.9292 |
47 | MET | 0.9287 |
48 | PE9 | 0.9282 |
49 | ABU | 0.9281 |
50 | AML | 0.9266 |
51 | VKC | 0.9262 |
52 | LYS | 0.9252 |
53 | 98J | 0.9246 |
54 | LMR | 0.9232 |
55 | OGA | 0.9223 |
56 | 1SP | 0.9220 |
57 | XRG | 0.9210 |
58 | OEG | 0.9207 |
59 | 011 | 0.9184 |
60 | DQY | 0.9168 |
61 | DTL | 0.9167 |
62 | THE | 0.9162 |
63 | NF3 | 0.9155 |
64 | OCA | 0.9152 |
65 | OKG | 0.9148 |
66 | ONH | 0.9144 |
67 | NLE | 0.9138 |
68 | 7BC | 0.9135 |
69 | GLN | 0.9134 |
70 | DPF | 0.9131 |
71 | SPD | 0.9129 |
72 | XUL | 0.9127 |
73 | FW5 | 0.9127 |
74 | BXO | 0.9125 |
75 | 650 | 0.9111 |
76 | MLT | 0.9106 |
77 | GLY ALA | 0.9105 |
78 | QDK | 0.9104 |
79 | URP | 0.9103 |
80 | KMH | 0.9100 |
81 | PKU | 0.9098 |
82 | BUB | 0.9095 |
83 | 0L1 | 0.9091 |
84 | BP9 | 0.9088 |
85 | NWH | 0.9083 |
86 | NMH | 0.9078 |
87 | AL0 | 0.9078 |
88 | S8V | 0.9074 |
89 | 13P | 0.9069 |
90 | 7CL | 0.9064 |
91 | DE5 | 0.9059 |
92 | DPJ | 0.9057 |
93 | MAE | 0.9054 |
94 | K6V | 0.9049 |
95 | 9J3 | 0.9048 |
96 | SHO | 0.9044 |
97 | HSO | 0.9044 |
98 | KMT | 0.9043 |
99 | LYN | 0.9038 |
100 | ASN | 0.9037 |
101 | MEQ | 0.9036 |
102 | ODI | 0.9036 |
103 | 1GP | 0.9034 |
104 | 5FX | 0.9032 |
105 | XBT | 0.9032 |
106 | GOJ | 0.9023 |
107 | BNF | 0.9020 |
108 | ASP | 0.9019 |
109 | FQI | 0.9012 |
110 | DLY | 0.9010 |
111 | 6XA | 0.9009 |
112 | OAA | 0.9007 |
113 | MED | 0.9006 |
114 | G3P | 0.9006 |
115 | 4MV | 0.9004 |
116 | A8C | 0.9002 |
117 | G3H | 0.9001 |
118 | HSM | 0.9001 |
119 | DGL | 0.8998 |
120 | HYA | 0.8996 |
121 | PGH | 0.8994 |
122 | 5BR | 0.8994 |
123 | 7WG | 0.8985 |
124 | SSB | 0.8982 |
125 | HCS | 0.8982 |
126 | TZL | 0.8977 |
127 | AJ3 | 0.8976 |
128 | GP9 | 0.8975 |
129 | COI | 0.8973 |
130 | LTL | 0.8973 |
131 | HDA | 0.8971 |
132 | LEU | 0.8970 |
133 | MEV | 0.8969 |
134 | D10 | 0.8969 |
135 | 2CO | 0.8964 |
136 | SGL | 0.8962 |
137 | DGN | 0.8960 |
138 | M6W | 0.8960 |
139 | 1SH | 0.8957 |
140 | ONL | 0.8955 |
141 | 7C3 | 0.8951 |
142 | DTU | 0.8948 |
143 | 3HG | 0.8947 |
144 | OPE | 0.8946 |
145 | 9X6 | 0.8944 |
146 | TEO | 0.8943 |
147 | HPL | 0.8942 |
148 | GPF | 0.8942 |
149 | SHF | 0.8941 |
150 | 2HG | 0.8940 |
151 | GPJ | 0.8935 |
152 | S2G | 0.8934 |
153 | URO | 0.8934 |
154 | PGA | 0.8933 |
155 | XYL | 0.8932 |
156 | SD4 | 0.8930 |
157 | CCE | 0.8930 |
158 | 9YL | 0.8926 |
159 | MRY | 0.8925 |
160 | FBJ | 0.8921 |
161 | HSE | 0.8920 |
162 | HZP | 0.8920 |
163 | MZW | 0.8919 |
164 | MSE | 0.8917 |
165 | MPJ | 0.8917 |
166 | XLS | 0.8917 |
167 | 3S5 | 0.8916 |
168 | B3M | 0.8915 |
169 | IP8 | 0.8914 |
170 | 3SS | 0.8914 |
171 | ZGL | 0.8909 |
172 | HL5 | 0.8907 |
173 | LNO | 0.8907 |
174 | NIZ | 0.8907 |
175 | LER | 0.8901 |
176 | ISZ | 0.8897 |
177 | 14J | 0.8894 |
178 | 54D | 0.8891 |
179 | 268 | 0.8889 |
180 | ENW | 0.8886 |
181 | 8EW | 0.8881 |
182 | PAH | 0.8876 |
183 | ROR | 0.8872 |
184 | C2A | 0.8869 |
185 | GJZ | 0.8869 |
186 | CFI | 0.8867 |
187 | 7UC | 0.8865 |
188 | 6JN | 0.8862 |
189 | CCD | 0.8857 |
190 | O45 | 0.8855 |
191 | NM2 | 0.8853 |
192 | FAN | 0.8851 |
193 | 2EH | 0.8850 |
194 | 9ON | 0.8849 |
195 | CMS | 0.8849 |
196 | 1SA | 0.8849 |
197 | RJY | 0.8845 |
198 | RBL | 0.8844 |
199 | MLZ | 0.8844 |
200 | 9X7 | 0.8842 |
201 | 129 | 0.8840 |
202 | NYL | 0.8837 |
203 | CHH | 0.8826 |
204 | 3YP | 0.8823 |
205 | 2IT | 0.8819 |
206 | TLA | 0.8818 |
207 | DAL DAL | 0.8816 |
208 | HIS | 0.8812 |
209 | CSS | 0.8812 |
210 | 264 | 0.8809 |
211 | OHG | 0.8806 |
212 | 1H1 | 0.8806 |
213 | EOU | 0.8804 |
214 | ZBT | 0.8804 |
215 | CUW | 0.8803 |
216 | DIA | 0.8802 |
217 | XAP | 0.8802 |
218 | MUC | 0.8800 |
219 | TIU | 0.8799 |
220 | PZM | 0.8797 |
221 | NLP | 0.8796 |
222 | SKJ | 0.8796 |
223 | ILE | 0.8792 |
224 | RB5 | 0.8791 |
225 | RB0 | 0.8791 |
226 | UN1 | 0.8790 |
227 | O7U | 0.8789 |
228 | IHG | 0.8787 |
229 | 7OD | 0.8786 |
230 | MAH | 0.8785 |
231 | UGC | 0.8784 |
232 | EHM | 0.8780 |
233 | AT3 | 0.8776 |
234 | M45 | 0.8776 |
235 | H95 | 0.8774 |
236 | 4LR | 0.8773 |
237 | NVA | 0.8771 |
238 | 2RH | 0.8767 |
239 | 3PG | 0.8767 |
240 | LT1 | 0.8766 |
241 | 258 | 0.8766 |
242 | 69O | 0.8764 |
243 | 11C | 0.8764 |
244 | FOC | 0.8764 |
245 | GGL | 0.8762 |
246 | ENV | 0.8762 |
247 | MHO | 0.8762 |
248 | OOG | 0.8761 |
249 | TAR | 0.8758 |
250 | R9M | 0.8758 |
251 | 9GB | 0.8752 |
252 | DZA | 0.8751 |
253 | A20 | 0.8746 |
254 | SLZ | 0.8746 |
255 | 3OM | 0.8746 |
256 | PEP | 0.8745 |
257 | CXF | 0.8742 |
258 | OK7 | 0.8737 |
259 | HGA | 0.8734 |
260 | SME | 0.8728 |
261 | GVA | 0.8727 |
262 | AHN | 0.8726 |
263 | X1R | 0.8726 |
264 | DCL | 0.8721 |
265 | 23W | 0.8720 |
266 | URA | 0.8716 |
267 | 284 | 0.8711 |
268 | LUQ | 0.8706 |
269 | GRQ | 0.8704 |
270 | GVM | 0.8703 |
271 | 1CO | 0.8698 |
272 | RNS | 0.8698 |
273 | PRA | 0.8695 |
274 | RTK | 0.8691 |
275 | NM3 | 0.8691 |
276 | TEG | 0.8691 |
277 | DHM | 0.8691 |
278 | 64Z | 0.8690 |
279 | I1E | 0.8690 |
280 | 8SZ | 0.8686 |
281 | 2FM | 0.8682 |
282 | Q9Z | 0.8681 |
283 | OVM | 0.8680 |
284 | FOM | 0.8677 |
285 | PML | 0.8668 |
286 | CRS | 0.8668 |
287 | I2M | 0.8663 |
288 | 3OC | 0.8660 |
289 | I38 | 0.8659 |
290 | 152 | 0.8657 |
291 | ACH | 0.8656 |
292 | 3LR | 0.8654 |
293 | F9P | 0.8654 |
294 | PO6 | 0.8653 |
295 | OHJ | 0.8652 |
296 | 5XB | 0.8651 |
297 | ALA ALA | 0.8650 |
298 | MD0 | 0.8645 |
299 | 4TB | 0.8641 |
300 | NMG | 0.8637 |
301 | 9YT | 0.8619 |
302 | CEE | 0.8617 |
303 | 3MB | 0.8617 |
304 | 1P3 | 0.8613 |
305 | DIR | 0.8611 |
306 | AEF | 0.8607 |
307 | FEH | 0.8600 |
308 | N4B | 0.8597 |
309 | SPV | 0.8597 |
310 | BHU | 0.8583 |
311 | DAS | 0.8582 |
312 | KNA | 0.8580 |
313 | FK8 | 0.8566 |
314 | RCO | 0.8565 |
315 | FBM | 0.8554 |
316 | CXP | 0.8538 |
317 | RBJ | 0.8535 |
318 | CLT | 0.8534 |
319 | K7M | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 5ukv.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |