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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 41 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LYS | 0.9472 |
2 | AKG | 0.9446 |
3 | LYN | 0.9432 |
4 | DAL DAL | 0.9415 |
5 | GLN | 0.9386 |
6 | ONL | 0.9378 |
7 | HL4 | 0.9377 |
8 | OGA | 0.9356 |
9 | 9ON | 0.9354 |
10 | DGL | 0.9342 |
11 | GLU | 0.9341 |
12 | ORN | 0.9321 |
13 | HL5 | 0.9292 |
14 | MET | 0.9260 |
15 | AL0 | 0.9248 |
16 | S2G | 0.9229 |
17 | 8SZ | 0.9228 |
18 | 173 | 0.9227 |
19 | 2IT | 0.9198 |
20 | DIR | 0.9186 |
21 | SLZ | 0.9178 |
22 | FEH | 0.9170 |
23 | 2HG | 0.9165 |
24 | N6C | 0.9163 |
25 | K6V | 0.9162 |
26 | BHO | 0.9148 |
27 | GRO | 0.9139 |
28 | SHV | 0.9138 |
29 | B3U | 0.9131 |
30 | HIS | 0.9131 |
31 | AG2 | 0.9119 |
32 | DZA | 0.9117 |
33 | ISZ | 0.9116 |
34 | 9RW | 0.9113 |
35 | MXN | 0.9111 |
36 | NCT | 0.9111 |
37 | MED | 0.9107 |
38 | MLZ | 0.9099 |
39 | HHH | 0.9094 |
40 | DLY | 0.9093 |
41 | DPN | 0.9092 |
42 | BHU | 0.9089 |
43 | NLE | 0.9085 |
44 | TLA | 0.9082 |
45 | SYM | 0.9078 |
46 | 3LR | 0.9074 |
47 | OCA | 0.9067 |
48 | SMN | 0.9063 |
49 | ASP | 0.9062 |
50 | GLY GLY | 0.9058 |
51 | 2D8 | 0.9057 |
52 | 8OZ | 0.9057 |
53 | PPY | 0.9048 |
54 | LFC | 0.9037 |
55 | 13P | 0.9037 |
56 | PHE | 0.9036 |
57 | 49F | 0.9032 |
58 | LMR | 0.9028 |
59 | ASN | 0.9028 |
60 | HF2 | 0.9023 |
61 | KDG | 0.9020 |
62 | SHA | 0.9019 |
63 | TIH | 0.9019 |
64 | 3PG | 0.9017 |
65 | UN1 | 0.9016 |
66 | SAF | 0.9016 |
67 | I1E | 0.9011 |
68 | RJY | 0.9009 |
69 | GCO | 0.9008 |
70 | ILE | 0.9008 |
71 | 269 | 0.8996 |
72 | B40 | 0.8995 |
73 | SEP | 0.8995 |
74 | A3M | 0.8994 |
75 | PO6 | 0.8992 |
76 | KMH | 0.8983 |
77 | C5A | 0.8980 |
78 | PZI | 0.8978 |
79 | 3OL | 0.8975 |
80 | LEU | 0.8974 |
81 | ACA | 0.8971 |
82 | IXW | 0.8970 |
83 | 0L1 | 0.8967 |
84 | 7BC | 0.8966 |
85 | PEP | 0.8965 |
86 | X1R | 0.8961 |
87 | ALA ALA | 0.8959 |
88 | 23J | 0.8959 |
89 | PBA | 0.8959 |
90 | 268 | 0.8959 |
91 | CUW | 0.8958 |
92 | NLP | 0.8955 |
93 | R2P | 0.8954 |
94 | LY0 | 0.8953 |
95 | MNN | 0.8953 |
96 | GVG | 0.8952 |
97 | FK8 | 0.8946 |
98 | SRT | 0.8945 |
99 | SD4 | 0.8945 |
100 | HGA | 0.8943 |
101 | 92K | 0.8942 |
102 | A29 | 0.8941 |
103 | MPJ | 0.8938 |
104 | CFI | 0.8935 |
105 | SOR | 0.8933 |
106 | 1DJ | 0.8932 |
107 | NIZ | 0.8932 |
108 | OOG | 0.8930 |
109 | AOS | 0.8929 |
110 | FUD | 0.8928 |
111 | MHN | 0.8927 |
112 | DHI | 0.8927 |
113 | DGN | 0.8926 |
114 | F9P | 0.8923 |
115 | NYL | 0.8920 |
116 | 7UC | 0.8918 |
117 | PSJ | 0.8916 |
118 | GOJ | 0.8916 |
119 | K6H | 0.8909 |
120 | MD0 | 0.8907 |
121 | 3YP | 0.8907 |
122 | 6HN | 0.8905 |
123 | 9J3 | 0.8903 |
124 | SHI | 0.8902 |
125 | GLY CYS | 0.8901 |
126 | XLS | 0.8898 |
127 | COI | 0.8898 |
128 | OAA | 0.8897 |
129 | NWH | 0.8897 |
130 | 7C3 | 0.8896 |
131 | ROR | 0.8896 |
132 | RAT | 0.8892 |
133 | FOC | 0.8890 |
134 | G3H | 0.8887 |
135 | RUJ | 0.8884 |
136 | 7OD | 0.8880 |
137 | P80 | 0.8880 |
138 | LTL | 0.8880 |
139 | 11C | 0.8876 |
140 | HPN | 0.8871 |
141 | 2FT | 0.8869 |
142 | G3P | 0.8868 |
143 | XUL | 0.8868 |
144 | XYL | 0.8867 |
145 | CXP | 0.8864 |
146 | HG3 | 0.8863 |
147 | CS2 | 0.8861 |
148 | TZL | 0.8861 |
149 | 9GB | 0.8860 |
150 | J9Q | 0.8860 |
151 | OHP | 0.8859 |
152 | SOL | 0.8858 |
153 | 2FM | 0.8857 |
154 | 1H1 | 0.8855 |
155 | OKG | 0.8853 |
156 | GUA | 0.8851 |
157 | OHJ | 0.8849 |
158 | OSE | 0.8848 |
159 | 2PG | 0.8847 |
160 | ARG | 0.8845 |
161 | P7Y | 0.8843 |
162 | GLR | 0.8843 |
163 | TAG | 0.8841 |
164 | MHO | 0.8840 |
165 | MTL | 0.8840 |
166 | EXY | 0.8838 |
167 | 6NA | 0.8838 |
168 | QY9 | 0.8838 |
169 | S2P | 0.8837 |
170 | APG | 0.8837 |
171 | EDR | 0.8834 |
172 | XBT | 0.8831 |
173 | JRB | 0.8831 |
174 | FBM | 0.8830 |
175 | GLO | 0.8826 |
176 | NPI | 0.8825 |
177 | DHH | 0.8825 |
178 | RB5 | 0.8821 |
179 | RB0 | 0.8821 |
180 | DLT | 0.8820 |
181 | 5XA | 0.8819 |
182 | MEQ | 0.8819 |
183 | 3BU | 0.8818 |
184 | 3HP | 0.8816 |
185 | Q02 | 0.8816 |
186 | JFJ | 0.8816 |
187 | PPR | 0.8810 |
188 | TYE | 0.8806 |
189 | HYA | 0.8806 |
190 | 3QM | 0.8804 |
191 | DAR | 0.8803 |
192 | KMT | 0.8801 |
193 | E4P | 0.8801 |
194 | RNT | 0.8795 |
195 | PAC | 0.8794 |
196 | BHH | 0.8793 |
197 | SDD | 0.8793 |
198 | RMN | 0.8789 |
199 | 263 | 0.8782 |
200 | Q03 | 0.8781 |
201 | 3HG | 0.8779 |
202 | AMQ | 0.8778 |
203 | GTK | 0.8775 |
204 | 0V5 | 0.8775 |
205 | GGL | 0.8769 |
206 | MLY | 0.8768 |
207 | DXG | 0.8766 |
208 | LPK | 0.8764 |
209 | LUQ | 0.8763 |
210 | 069 | 0.8762 |
211 | M3H | 0.8758 |
212 | ITN | 0.8757 |
213 | TPO | 0.8753 |
214 | 5FX | 0.8752 |
215 | NMH | 0.8751 |
216 | 3C7 | 0.8751 |
217 | MLE | 0.8748 |
218 | IOM | 0.8748 |
219 | NTU | 0.8746 |
220 | MZT | 0.8745 |
221 | 2CO | 0.8744 |
222 | Q9Z | 0.8743 |
223 | 4LR | 0.8743 |
224 | 9RH | 0.8742 |
225 | AHN | 0.8741 |
226 | IAC | 0.8735 |
227 | MCO | 0.8735 |
228 | GBN | 0.8730 |
229 | HMS | 0.8728 |
230 | OEG | 0.8725 |
231 | SME | 0.8720 |
232 | NNH | 0.8719 |
233 | T9G | 0.8715 |
234 | QUS | 0.8714 |
235 | I4B | 0.8709 |
236 | 52C | 0.8709 |
237 | HTX | 0.8707 |
238 | GPJ | 0.8706 |
239 | 0OC | 0.8706 |
240 | PMF | 0.8698 |
241 | 6XA | 0.8696 |
242 | 98J | 0.8693 |
243 | 61M | 0.8693 |
244 | HIC | 0.8687 |
245 | RNS | 0.8685 |
246 | 4VY | 0.8682 |
247 | PTU | 0.8676 |
248 | HJH | 0.8676 |
249 | FOM | 0.8674 |
250 | GPF | 0.8671 |
251 | QDK | 0.8666 |
252 | 2EH | 0.8666 |
253 | 3MF | 0.8665 |
254 | IHG | 0.8664 |
255 | 8GL | 0.8662 |
256 | GZQ | 0.8660 |
257 | PG0 | 0.8659 |
258 | 3MV | 0.8654 |
259 | DEE | 0.8654 |
260 | 97T | 0.8652 |
261 | NVU | 0.8651 |
262 | 40E | 0.8650 |
263 | ACH | 0.8644 |
264 | DYT | 0.8637 |
265 | 7QS | 0.8637 |
266 | F98 | 0.8635 |
267 | 16D | 0.8627 |
268 | 64Z | 0.8627 |
269 | AFS | 0.8624 |
270 | GLY ALA | 0.8624 |
271 | 1GP | 0.8624 |
272 | NSD | 0.8612 |
273 | 1A7 | 0.8606 |
274 | RBL | 0.8605 |
275 | 54D | 0.8604 |
276 | VKC | 0.8601 |
277 | SER THR | 0.8600 |
278 | HDL | 0.8599 |
279 | FBW | 0.8593 |
280 | OCT | 0.8591 |
281 | LLH | 0.8588 |
282 | SSC | 0.8581 |
283 | TVP | 0.8564 |
284 | 7N0 | 0.8557 |
285 | 2JJ | 0.8540 |
286 | J0Z | 0.8534 |
287 | B3M | 0.8530 |
288 | XCZ | 0.8517 |
289 | IFL | 0.8516 |
290 | HA5 | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |