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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 1331 families. | |||||
1 | 5OKU | Kd = 0.55 uM | 0L1 | C6 H10 O4 | C(CCC(=O)O.... |
2 | 5OEI | Kd = 1.6 uM | OOG | C6 H8 O5 | C(CC(=O)C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5OKU | Kd = 0.55 uM | 0L1 | C6 H10 O4 | C(CCC(=O)O.... |
2 | 5OEI | Kd = 1.6 uM | OOG | C6 H8 O5 | C(CC(=O)C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0L1 | 1 | 1 |
2 | PML | 0.764706 | 0.947368 |
3 | AZ1 | 0.722222 | 0.9 |
4 | SHO | 0.65 | 0.761905 |
5 | GUA | 0.647059 | 0.944444 |
6 | 6NA | 0.619048 | 0.608696 |
7 | SIN | 0.5625 | 0.833333 |
8 | 12H | 0.541667 | 0.695652 |
9 | 9J6 | 0.538462 | 0.68 |
10 | BRC | 0.52 | 0.608696 |
11 | NPI | 0.464286 | 0.692308 |
12 | OOG | 0.458333 | 0.85 |
13 | KTC | 0.433333 | 0.615385 |
14 | RED | 0.419355 | 0.625 |
15 | MLA | 0.411765 | 0.619048 |
16 | SSN | 0.409091 | 0.722222 |
17 | 5PV | 0.40625 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AKG | 0.9680 |
2 | ENW | 0.9621 |
3 | OGA | 0.9615 |
4 | UN1 | 0.9572 |
5 | DGL | 0.9549 |
6 | GLU | 0.9541 |
7 | AG2 | 0.9535 |
8 | N6C | 0.9534 |
9 | 2IT | 0.9528 |
10 | GVA | 0.9503 |
11 | 7UC | 0.9498 |
12 | DGN | 0.9484 |
13 | CCU | 0.9483 |
14 | 011 | 0.9458 |
15 | S8V | 0.9447 |
16 | KQY | 0.9439 |
17 | LUQ | 0.9439 |
18 | 650 | 0.9426 |
19 | 9YT | 0.9423 |
20 | HPN | 0.9422 |
21 | 4TB | 0.9421 |
22 | SHV | 0.9407 |
23 | 2HG | 0.9392 |
24 | DZA | 0.9383 |
25 | 1HS | 0.9372 |
26 | OCA | 0.9370 |
27 | GLN | 0.9368 |
28 | 2FM | 0.9367 |
29 | URO | 0.9361 |
30 | MHN | 0.9357 |
31 | S2G | 0.9354 |
32 | ACA | 0.9353 |
33 | O45 | 0.9324 |
34 | KPC | 0.9322 |
35 | LVD | 0.9301 |
36 | 11C | 0.9295 |
37 | SLZ | 0.9279 |
38 | URP | 0.9274 |
39 | AHN | 0.9268 |
40 | AE3 | 0.9258 |
41 | DHI | 0.9258 |
42 | NM2 | 0.9256 |
43 | 3S5 | 0.9256 |
44 | HIS | 0.9250 |
45 | ONH | 0.9247 |
46 | LYN | 0.9246 |
47 | 3LR | 0.9244 |
48 | 3YP | 0.9239 |
49 | M1T | 0.9236 |
50 | ENV | 0.9234 |
51 | 7BC | 0.9232 |
52 | MHO | 0.9226 |
53 | LYS | 0.9220 |
54 | DLY | 0.9220 |
55 | CCD | 0.9205 |
56 | R9M | 0.9202 |
57 | 9ON | 0.9195 |
58 | MF3 | 0.9195 |
59 | AT3 | 0.9194 |
60 | M3P | 0.9190 |
61 | ORN | 0.9186 |
62 | 2JJ | 0.9185 |
63 | JX7 | 0.9181 |
64 | KNA | 0.9180 |
65 | Q9Z | 0.9180 |
66 | IP8 | 0.9175 |
67 | CLT | 0.9175 |
68 | 7C3 | 0.9175 |
69 | FOM | 0.9173 |
70 | 8GL | 0.9170 |
71 | KMH | 0.9170 |
72 | OCT | 0.9166 |
73 | ZGL | 0.9166 |
74 | 7OD | 0.9164 |
75 | HHI | 0.9163 |
76 | DAL DAL | 0.9156 |
77 | MLZ | 0.9152 |
78 | 6XA | 0.9150 |
79 | KPA | 0.9149 |
80 | RUJ | 0.9137 |
81 | B3M | 0.9136 |
82 | BHH | 0.9131 |
83 | OEG | 0.9123 |
84 | ARG | 0.9115 |
85 | HPV | 0.9113 |
86 | OC9 | 0.9111 |
87 | 13P | 0.9110 |
88 | DIR | 0.9103 |
89 | 9J3 | 0.9103 |
90 | 3PG | 0.9099 |
91 | 5OY | 0.9098 |
92 | PG0 | 0.9091 |
93 | OYA | 0.9090 |
94 | IXW | 0.9086 |
95 | 152 | 0.9086 |
96 | HE4 | 0.9084 |
97 | SYM | 0.9083 |
98 | ONL | 0.9082 |
99 | ALA ALA | 0.9081 |
100 | NSD | 0.9080 |
101 | GGL | 0.9079 |
102 | PPY | 0.9079 |
103 | PBA | 0.9076 |
104 | HCI | 0.9076 |
105 | GPJ | 0.9074 |
106 | TEG | 0.9073 |
107 | PGH | 0.9073 |
108 | NNH | 0.9069 |
109 | IAR | 0.9065 |
110 | HGA | 0.9061 |
111 | 16D | 0.9061 |
112 | TYR | 0.9060 |
113 | G3P | 0.9056 |
114 | CIR | 0.9054 |
115 | PHE | 0.9052 |
116 | NLE | 0.9048 |
117 | CCE | 0.9047 |
118 | 1BN | 0.9041 |
119 | HTX | 0.9039 |
120 | 4HP | 0.9039 |
121 | 7XA | 0.9038 |
122 | CHH | 0.9038 |
123 | ILO | 0.9036 |
124 | 0VT | 0.9032 |
125 | BHU | 0.9031 |
126 | OKG | 0.9031 |
127 | DHH | 0.9026 |
128 | HMS | 0.9025 |
129 | TCA | 0.9024 |
130 | DXP | 0.9023 |
131 | 6HN | 0.9018 |
132 | CXP | 0.9016 |
133 | GLY GLY | 0.9014 |
134 | 3OL | 0.9011 |
135 | HC4 | 0.9011 |
136 | DAR | 0.9008 |
137 | QFJ | 0.9007 |
138 | BHL | 0.9004 |
139 | BHL BHL | 0.9004 |
140 | GGB | 0.9003 |
141 | G3H | 0.8999 |
142 | J0Z | 0.8996 |
143 | SME | 0.8993 |
144 | PO6 | 0.8992 |
145 | SEP | 0.8985 |
146 | 4LR | 0.8982 |
147 | GPF | 0.8979 |
148 | MLY | 0.8977 |
149 | HPL | 0.8977 |
150 | N9J | 0.8976 |
151 | GRQ | 0.8970 |
152 | GLY GLY GLY | 0.8968 |
153 | I38 | 0.8967 |
154 | 5XB | 0.8961 |
155 | XIZ | 0.8960 |
156 | PC | 0.8958 |
157 | FK8 | 0.8958 |
158 | DHM | 0.8956 |
159 | MSL | 0.8952 |
160 | ODI | 0.8952 |
161 | 2FT | 0.8946 |
162 | BNF | 0.8945 |
163 | P81 | 0.8940 |
164 | SSC | 0.8934 |
165 | MZT | 0.8933 |
166 | 8SZ | 0.8932 |
167 | NMH | 0.8929 |
168 | NWH | 0.8928 |
169 | TIH | 0.8926 |
170 | HG3 | 0.8920 |
171 | MED | 0.8919 |
172 | AL0 | 0.8919 |
173 | NF3 | 0.8918 |
174 | MET | 0.8917 |
175 | O8Y | 0.8917 |
176 | E4P | 0.8914 |
177 | 49F | 0.8914 |
178 | NM3 | 0.8913 |
179 | NTU | 0.8913 |
180 | 5XA | 0.8908 |
181 | KMT | 0.8908 |
182 | M6H | 0.8905 |
183 | 2D8 | 0.8902 |
184 | PRO GLY | 0.8899 |
185 | OSE | 0.8895 |
186 | RTK | 0.8891 |
187 | F98 | 0.8890 |
188 | SPD | 0.8887 |
189 | LPA | 0.8885 |
190 | MEQ | 0.8884 |
191 | HBU | 0.8879 |
192 | NFA | 0.8878 |
193 | DXG | 0.8878 |
194 | SSB | 0.8878 |
195 | NSB | 0.8877 |
196 | M45 | 0.8876 |
197 | 4TP | 0.8874 |
198 | 64Z | 0.8872 |
199 | EGV | 0.8872 |
200 | VKC | 0.8872 |
201 | P80 | 0.8869 |
202 | 3OM | 0.8863 |
203 | AFS | 0.8863 |
204 | 58X | 0.8854 |
205 | LTL | 0.8851 |
206 | 3HG | 0.8846 |
207 | 5DL | 0.8844 |
208 | HL5 | 0.8843 |
209 | DIA | 0.8839 |
210 | DAV | 0.8836 |
211 | CUW | 0.8833 |
212 | MES | 0.8832 |
213 | NYL | 0.8832 |
214 | DEZ | 0.8831 |
215 | GP9 | 0.8820 |
216 | IVL | 0.8819 |
217 | DER | 0.8819 |
218 | AZM | 0.8818 |
219 | DLT | 0.8813 |
220 | 9SE | 0.8810 |
221 | API | 0.8809 |
222 | NMM | 0.8808 |
223 | XRX | 0.8802 |
224 | 9GB | 0.8795 |
225 | 2BX | 0.8794 |
226 | 3QO | 0.8792 |
227 | 1X4 | 0.8791 |
228 | 5LD | 0.8786 |
229 | XOG | 0.8786 |
230 | KDG | 0.8777 |
231 | 1PS | 0.8776 |
232 | LY0 | 0.8775 |
233 | B3U | 0.8773 |
234 | 129 | 0.8767 |
235 | SD4 | 0.8765 |
236 | F90 | 0.8765 |
237 | 2NP | 0.8765 |
238 | GVM | 0.8763 |
239 | HPP | 0.8761 |
240 | PBN | 0.8759 |
241 | PG3 | 0.8758 |
242 | ZZU | 0.8752 |
243 | 1GP | 0.8750 |
244 | Q06 | 0.8747 |
245 | HPO | 0.8744 |
246 | PDC | 0.8744 |
247 | HAR | 0.8739 |
248 | TZP | 0.8738 |
249 | X1R | 0.8738 |
250 | 492 | 0.8737 |
251 | YIP | 0.8730 |
252 | NLP | 0.8730 |
253 | ENO | 0.8724 |
254 | 3PO | 0.8724 |
255 | LX1 | 0.8722 |
256 | ABH | 0.8721 |
257 | TZM | 0.8719 |
258 | 2CO | 0.8712 |
259 | EXY | 0.8707 |
260 | GCO | 0.8706 |
261 | AHC | 0.8699 |
262 | M3L | 0.8697 |
263 | GOJ | 0.8695 |
264 | PSE | 0.8693 |
265 | 6CL | 0.8692 |
266 | 1SH | 0.8692 |
267 | GLR | 0.8685 |
268 | PPT | 0.8684 |
269 | 264 | 0.8684 |
270 | SNO | 0.8684 |
271 | HIC | 0.8683 |
272 | GB5 | 0.8682 |
273 | 3H2 | 0.8681 |
274 | 268 | 0.8679 |
275 | S7A | 0.8671 |
276 | XYH | 0.8668 |
277 | MSE | 0.8667 |
278 | MPJ | 0.8661 |
279 | HL4 | 0.8656 |
280 | E79 | 0.8653 |
281 | BL0 | 0.8647 |
282 | RP3 | 0.8647 |
283 | 266 | 0.8644 |
284 | M44 | 0.8643 |
285 | 5RP | 0.8640 |
286 | NOT | 0.8631 |
287 | P58 | 0.8608 |
288 | 11X | 0.8606 |
289 | MPH | 0.8604 |
290 | CS2 | 0.8603 |
291 | CYX | 0.8600 |
292 | YIE | 0.8598 |
293 | S0W | 0.8596 |
294 | 8EW | 0.8589 |
295 | 6ZX | 0.8569 |
296 | JFM | 0.8567 |
297 | 6J5 | 0.8551 |
298 | RA7 | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 5oku.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |