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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 25 families. | |||||
1 | 3KO5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4NBI | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
3 | 3KO7 | - | DLY | C6 H14 N2 O2 | C(CCN)C[C@.... |
4 | 5J61 | - | A3G | C12 H17 N7 O4 | c1nc(c2c(n.... |
5 | 4NBJ | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 3KO5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4NBI | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
3 | 3KO7 | - | DLY | C6 H14 N2 O2 | C(CCN)C[C@.... |
4 | 5J61 | - | A3G | C12 H17 N7 O4 | c1nc(c2c(n.... |
5 | 4NBJ | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DLY | 1 | 1 |
2 | ORN | 0.714286 | 0.961538 |
3 | 2YG | 0.609756 | 0.742857 |
4 | API | 0.607143 | 0.758621 |
5 | DHH | 0.59375 | 0.733333 |
6 | LYS | 0.59375 | 0.962963 |
7 | 2YJ | 0.585366 | 0.742857 |
8 | NPI | 0.575758 | 0.733333 |
9 | DAB | 0.571429 | 0.857143 |
10 | 8SZ | 0.542857 | 0.6 |
11 | NLE | 0.53125 | 0.7 |
12 | MLZ | 0.527778 | 0.787879 |
13 | MLY | 0.527778 | 0.657895 |
14 | 5CT | 0.52381 | 0.764706 |
15 | UN1 | 0.515152 | 0.7 |
16 | 11C | 0.515152 | 0.7 |
17 | 0TF | 0.511628 | 0.742857 |
18 | ALY | 0.487179 | 0.764706 |
19 | HRG | 0.487179 | 0.787879 |
20 | ONH | 0.485714 | 0.714286 |
21 | NOT | 0.475 | 0.735294 |
22 | EXY | 0.475 | 0.638889 |
23 | 26P | 0.472222 | 0.636364 |
24 | 6CL | 0.472222 | 0.733333 |
25 | HSE | 0.466667 | 0.709677 |
26 | 2YH | 0.465116 | 0.735294 |
27 | 2RA | 0.464286 | 0.758621 |
28 | CIR | 0.459459 | 0.714286 |
29 | NVA | 0.451613 | 0.689655 |
30 | HCS | 0.451613 | 0.785714 |
31 | ARG | 0.447368 | 0.735294 |
32 | DAR | 0.447368 | 0.735294 |
33 | 2NP | 0.447368 | 0.628571 |
34 | LBY | 0.434783 | 0.619048 |
35 | REZ | 0.431818 | 0.638889 |
36 | MSE | 0.428571 | 0.617647 |
37 | DGN | 0.424242 | 0.65625 |
38 | GLN | 0.424242 | 0.65625 |
39 | GGL | 0.424242 | 0.666667 |
40 | DGL | 0.424242 | 0.666667 |
41 | GLU | 0.424242 | 0.666667 |
42 | ILO | 0.414634 | 0.735294 |
43 | DSN | 0.413793 | 0.666667 |
44 | ABA | 0.413793 | 0.642857 |
45 | DBB | 0.413793 | 0.642857 |
46 | SER | 0.413793 | 0.666667 |
47 | SHR | 0.413043 | 0.83871 |
48 | DDW | 0.410256 | 0.733333 |
49 | DDK | 0.410256 | 0.709677 |
50 | CUW | 0.405405 | 0.806452 |
51 | 9YT | 0.405405 | 0.666667 |
52 | C2N | 0.4 | 0.678571 |
53 | DCY | 0.4 | 0.714286 |
54 | ONL | 0.4 | 0.606061 |
55 | CYS | 0.4 | 0.714286 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AKG | 0.9739 |
2 | 3OL | 0.9674 |
3 | 7C3 | 0.9673 |
4 | 9ON | 0.9667 |
5 | AG2 | 0.9647 |
6 | MET | 0.9610 |
7 | 2CO | 0.9572 |
8 | SLZ | 0.9564 |
9 | OGA | 0.9558 |
10 | LYN | 0.9552 |
11 | OOG | 0.9522 |
12 | KMT | 0.9509 |
13 | 2HG | 0.9482 |
14 | NMH | 0.9480 |
15 | 3OM | 0.9446 |
16 | BNF | 0.9436 |
17 | ACA | 0.9420 |
18 | HGA | 0.9420 |
19 | S2G | 0.9411 |
20 | SHV | 0.9407 |
21 | MED | 0.9393 |
22 | 7OD | 0.9376 |
23 | O45 | 0.9374 |
24 | M3P | 0.9365 |
25 | MHN | 0.9365 |
26 | 2IT | 0.9349 |
27 | OCA | 0.9338 |
28 | 5XA | 0.9336 |
29 | NYL | 0.9321 |
30 | N6C | 0.9315 |
31 | NWH | 0.9314 |
32 | 3PG | 0.9308 |
33 | N4B | 0.9307 |
34 | LT1 | 0.9289 |
35 | KQY | 0.9288 |
36 | DIR | 0.9277 |
37 | FXY | 0.9273 |
38 | MD0 | 0.9265 |
39 | TIH | 0.9265 |
40 | HCI | 0.9264 |
41 | HPN | 0.9256 |
42 | BHH | 0.9246 |
43 | PBA | 0.9236 |
44 | PBN | 0.9233 |
45 | KDG | 0.9230 |
46 | PRA | 0.9224 |
47 | DZA | 0.9223 |
48 | 0L1 | 0.9220 |
49 | GGB | 0.9220 |
50 | S8V | 0.9217 |
51 | 268 | 0.9209 |
52 | HL5 | 0.9208 |
53 | GUA | 0.9206 |
54 | 650 | 0.9202 |
55 | G3P | 0.9197 |
56 | MHO | 0.9188 |
57 | SYM | 0.9186 |
58 | HIS | 0.9181 |
59 | HTX | 0.9174 |
60 | 13P | 0.9173 |
61 | 264 | 0.9173 |
62 | 3LR | 0.9173 |
63 | 2FM | 0.9171 |
64 | PEA | 0.9167 |
65 | LEU | 0.9166 |
66 | SME | 0.9160 |
67 | MPJ | 0.9156 |
68 | OEG | 0.9156 |
69 | ZGL | 0.9155 |
70 | ISZ | 0.9153 |
71 | 258 | 0.9152 |
72 | GJZ | 0.9150 |
73 | PO6 | 0.9149 |
74 | PML | 0.9147 |
75 | CXP | 0.9146 |
76 | PGH | 0.9144 |
77 | URO | 0.9144 |
78 | YPN | 0.9139 |
79 | FK8 | 0.9136 |
80 | AL0 | 0.9129 |
81 | CXF | 0.9128 |
82 | HL4 | 0.9127 |
83 | URQ | 0.9124 |
84 | DHI | 0.9121 |
85 | SKJ | 0.9119 |
86 | NTU | 0.9118 |
87 | 263 | 0.9117 |
88 | MXN | 0.9115 |
89 | 49F | 0.9112 |
90 | SEP | 0.9111 |
91 | 9J3 | 0.9109 |
92 | SSB | 0.9109 |
93 | HG3 | 0.9108 |
94 | NNH | 0.9106 |
95 | MNN | 0.9103 |
96 | 7BC | 0.9102 |
97 | E4P | 0.9097 |
98 | IAR | 0.9094 |
99 | 6NA | 0.9094 |
100 | I38 | 0.9093 |
101 | DE5 | 0.9090 |
102 | PZI | 0.9088 |
103 | NLP | 0.9087 |
104 | RAT | 0.9087 |
105 | CFI | 0.9085 |
106 | GP9 | 0.9074 |
107 | PHE | 0.9074 |
108 | 3H2 | 0.9067 |
109 | 4TB | 0.9067 |
110 | DAL DAL | 0.9066 |
111 | GLY GLY | 0.9063 |
112 | OSE | 0.9062 |
113 | 1N5 | 0.9059 |
114 | GPF | 0.9057 |
115 | 1GP | 0.9056 |
116 | F06 | 0.9054 |
117 | B40 | 0.9054 |
118 | 1DJ | 0.9051 |
119 | LY0 | 0.9047 |
120 | MPH | 0.9046 |
121 | 8GL | 0.9044 |
122 | SRT | 0.9043 |
123 | IVL | 0.9042 |
124 | I1E | 0.9041 |
125 | G3H | 0.9035 |
126 | GRQ | 0.9032 |
127 | KMH | 0.9031 |
128 | FAN | 0.9031 |
129 | CLT | 0.9031 |
130 | IP8 | 0.9029 |
131 | HPV | 0.9028 |
132 | URP | 0.9024 |
133 | 6XA | 0.9016 |
134 | E79 | 0.9016 |
135 | ILE | 0.9015 |
136 | GPJ | 0.9013 |
137 | PG0 | 0.9010 |
138 | SD4 | 0.9008 |
139 | BHU | 0.9008 |
140 | IXW | 0.9006 |
141 | MUC | 0.9005 |
142 | SPV | 0.9003 |
143 | 6JN | 0.8998 |
144 | K6V | 0.8998 |
145 | OKG | 0.8995 |
146 | 2D8 | 0.8994 |
147 | JX7 | 0.8989 |
148 | AT3 | 0.8988 |
149 | LTL | 0.8987 |
150 | OCT | 0.8980 |
151 | HFA | 0.8979 |
152 | MLT | 0.8978 |
153 | 0VT | 0.8974 |
154 | XLS | 0.8973 |
155 | ENW | 0.8971 |
156 | ASP | 0.8969 |
157 | MF3 | 0.8964 |
158 | SOR | 0.8964 |
159 | M4T | 0.8964 |
160 | MTL | 0.8963 |
161 | HHI | 0.8951 |
162 | B3U | 0.8951 |
163 | 6HN | 0.8950 |
164 | 011 | 0.8948 |
165 | ENV | 0.8947 |
166 | 64Z | 0.8947 |
167 | 3MV | 0.8944 |
168 | DXG | 0.8944 |
169 | AHN | 0.8943 |
170 | DI6 | 0.8942 |
171 | XYL | 0.8940 |
172 | 3QM | 0.8940 |
173 | 7UC | 0.8939 |
174 | 2EH | 0.8937 |
175 | B3M | 0.8936 |
176 | HY1 | 0.8936 |
177 | 1SH | 0.8933 |
178 | BHL | 0.8931 |
179 | 2JJ | 0.8930 |
180 | 16D | 0.8930 |
181 | HOC | 0.8925 |
182 | R2P | 0.8923 |
183 | AX3 | 0.8922 |
184 | NSD | 0.8919 |
185 | ALA ALA | 0.8916 |
186 | 5XB | 0.8915 |
187 | 3HG | 0.8914 |
188 | OHJ | 0.8914 |
189 | MEQ | 0.8909 |
190 | Q9Z | 0.8909 |
191 | 3YP | 0.8908 |
192 | 129 | 0.8905 |
193 | VKC | 0.8901 |
194 | CCE | 0.8898 |
195 | NFA | 0.8894 |
196 | DPN | 0.8892 |
197 | XUL | 0.8889 |
198 | COI | 0.8887 |
199 | RTK | 0.8885 |
200 | AE3 | 0.8884 |
201 | SKG | 0.8883 |
202 | DLT | 0.8882 |
203 | ASN | 0.8875 |
204 | 1H1 | 0.8874 |
205 | PJL | 0.8873 |
206 | CHH | 0.8871 |
207 | DHM | 0.8871 |
208 | CSS | 0.8868 |
209 | TLA | 0.8867 |
210 | GVA | 0.8867 |
211 | SHO | 0.8867 |
212 | LMR | 0.8866 |
213 | 4TP | 0.8866 |
214 | SOL | 0.8862 |
215 | LPK | 0.8859 |
216 | F98 | 0.8855 |
217 | RJY | 0.8854 |
218 | RNS | 0.8853 |
219 | HHH | 0.8853 |
220 | X1R | 0.8853 |
221 | GLY ALA | 0.8851 |
222 | TAR | 0.8851 |
223 | 4LR | 0.8848 |
224 | XRG | 0.8847 |
225 | OC9 | 0.8842 |
226 | CYX | 0.8841 |
227 | CCD | 0.8839 |
228 | DAV | 0.8834 |
229 | M1T | 0.8833 |
230 | LUQ | 0.8832 |
231 | HF2 | 0.8832 |
232 | 2FT | 0.8827 |
233 | 7XA | 0.8825 |
234 | GLO | 0.8824 |
235 | AHL | 0.8824 |
236 | VAH | 0.8823 |
237 | 41K | 0.8822 |
238 | FOM | 0.8821 |
239 | 8EW | 0.8821 |
240 | KNA | 0.8820 |
241 | FOC | 0.8816 |
242 | R9M | 0.8816 |
243 | PAH | 0.8814 |
244 | DXP | 0.8811 |
245 | HBU | 0.8808 |
246 | HE4 | 0.8804 |
247 | Q07 | 0.8802 |
248 | TPO | 0.8800 |
249 | 3S5 | 0.8793 |
250 | GOJ | 0.8792 |
251 | ROR | 0.8792 |
252 | 5FX | 0.8789 |
253 | 2HC | 0.8788 |
254 | LNO | 0.8785 |
255 | AJ3 | 0.8784 |
256 | C5A | 0.8781 |
257 | ZZU | 0.8779 |
258 | SPD | 0.8778 |
259 | EV0 | 0.8774 |
260 | RBL | 0.8773 |
261 | OYA | 0.8771 |
262 | KPC | 0.8771 |
263 | MEV | 0.8771 |
264 | KOJ | 0.8771 |
265 | CS2 | 0.8764 |
266 | OPE | 0.8758 |
267 | DAS | 0.8758 |
268 | HPL | 0.8755 |
269 | RUJ | 0.8754 |
270 | DEZ | 0.8752 |
271 | FUD | 0.8752 |
272 | K6H | 0.8751 |
273 | 9GB | 0.8750 |
274 | 1X4 | 0.8750 |
275 | PRO GLY | 0.8746 |
276 | DYT | 0.8745 |
277 | LX1 | 0.8743 |
278 | MAH | 0.8743 |
279 | 152 | 0.8742 |
280 | H7Y | 0.8741 |
281 | GVM | 0.8740 |
282 | SR1 | 0.8737 |
283 | MLE | 0.8729 |
284 | DER | 0.8721 |
285 | HIC | 0.8719 |
286 | PC | 0.8718 |
287 | RB5 | 0.8717 |
288 | PSJ | 0.8716 |
289 | 98J | 0.8714 |
290 | THE | 0.8701 |
291 | MWP | 0.8699 |
292 | TEO | 0.8690 |
293 | NM3 | 0.8689 |
294 | 6Q3 | 0.8685 |
295 | 9X6 | 0.8683 |
296 | XYH | 0.8682 |
297 | R67 | 0.8681 |
298 | HPO | 0.8678 |
299 | QDK | 0.8676 |
300 | 9SE | 0.8675 |
301 | 1HS | 0.8661 |
302 | 4WK | 0.8659 |
303 | 4XR | 0.8658 |
304 | HDL | 0.8650 |
305 | JZ7 | 0.8645 |
306 | RNT | 0.8640 |
307 | ACH | 0.8637 |
308 | 3GZ | 0.8637 |
309 | LFC | 0.8635 |
310 | L06 | 0.8628 |
311 | TAG | 0.8627 |
312 | DPF | 0.8621 |
313 | 4ZD | 0.8617 |
314 | EHM | 0.8611 |
315 | 5OY | 0.8595 |
316 | DII | 0.8594 |
317 | JFJ | 0.8574 |
318 | SDD | 0.8567 |
319 | ICF | 0.8554 |
This union binding pocket(no: 1) in the query (biounit: 4nbi.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4nbi.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |