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- Structure Biounit | Ligand Information
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- 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 | 5II1 | - | 6BL | C11 H8 N2 O2 | Cc1c-2c([n.... |
2 | 5HRV | - | 64C | C12 H10 N2 O2 | CCc1c-2c([.... |
3 | 3MB4 | - | MB3 | C5 H9 N O | CN1CCCC1=O |
4 | 5FH6 | - | 5XM | C17 H21 N3 O | c1ccc2c(c1.... |
5 | 5II2 | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
6 | 5FH8 | Kd = 170 nM | 5XK | C17 H19 Cl N2 O | CCC(CC)Cc1.... |
7 | 5IID | - | 6BK | C15 H10 O5 | c1cc(c2c(c.... |
8 | 5HRW | - | 64E | C13 H12 N2 O2 | CCCc1c-2c(.... |
9 | 5HRX | - | 64F | C14 H14 N2 O2 | CCCCc1c-2c.... |
10 | 5FH7 | Kd = 137 nM | 5XL | C14 H14 Cl N3 O | CN(C)Cc1cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5II1 | - | 6BL | C11 H8 N2 O2 | Cc1c-2c([n.... |
2 | 5HRV | - | 64C | C12 H10 N2 O2 | CCc1c-2c([.... |
3 | 3MB4 | - | MB3 | C5 H9 N O | CN1CCCC1=O |
4 | 5FH6 | - | 5XM | C17 H21 N3 O | c1ccc2c(c1.... |
5 | 5II2 | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
6 | 5FH8 | Kd = 170 nM | 5XK | C17 H19 Cl N2 O | CCC(CC)Cc1.... |
7 | 5IID | - | 6BK | C15 H10 O5 | c1cc(c2c(c.... |
8 | 5HRW | - | 64E | C13 H12 N2 O2 | CCCc1c-2c(.... |
9 | 5HRX | - | 64F | C14 H14 N2 O2 | CCCCc1c-2c.... |
10 | 5FH7 | Kd = 137 nM | 5XL | C14 H14 Cl N3 O | CN(C)Cc1cc.... |
11 | 6HAZ | - | FX5 | C14 H18 N5 O | c1ccc(c(c1.... |
12 | 3UVD | - | MB3 | C5 H9 N O | CN1CCCC1=O |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3N4 | 0.9487 |
2 | 774 | 0.9342 |
3 | P83 | 0.9331 |
4 | C9E | 0.9329 |
5 | R6T | 0.9321 |
6 | 1QP | 0.9320 |
7 | EYM | 0.9293 |
8 | EYA | 0.9280 |
9 | ONZ | 0.9273 |
10 | X8D | 0.9272 |
11 | 28N | 0.9259 |
12 | 5WT | 0.9249 |
13 | RZH | 0.9163 |
14 | 30G | 0.9144 |
15 | 9AP | 0.9130 |
16 | 0XT | 0.9125 |
17 | 7FF | 0.9094 |
18 | LDR | 0.9089 |
19 | E7R | 0.9085 |
20 | XM5 | 0.9078 |
21 | IBM | 0.9077 |
22 | 4VS | 0.9061 |
23 | DBF | 0.9051 |
24 | JAK | 0.9042 |
25 | JTA | 0.9036 |
26 | AC2 | 0.9034 |
27 | 7ZC | 0.9033 |
28 | GNV | 0.9033 |
29 | YEX | 0.9027 |
30 | ZME | 0.9022 |
31 | T28 | 0.9019 |
32 | X0T | 0.9018 |
33 | 28S | 0.9017 |
34 | JWS | 0.9017 |
35 | 55D | 0.9008 |
36 | 5WS | 0.9000 |
37 | 7I2 | 0.8995 |
38 | UFO | 0.8993 |
39 | ELH | 0.8988 |
40 | AH9 | 0.8984 |
41 | B21 | 0.8977 |
42 | SRO | 0.8975 |
43 | 2FQ | 0.8973 |
44 | 34L | 0.8973 |
45 | QNA | 0.8969 |
46 | 4B0 | 0.8967 |
47 | W8G | 0.8961 |
48 | MN QAY | 0.8955 |
49 | 8G6 | 0.8953 |
50 | 2JK | 0.8950 |
51 | C2Y | 0.8947 |
52 | FLV | 0.8946 |
53 | 226 | 0.8946 |
54 | 8XQ | 0.8943 |
55 | BPU | 0.8941 |
56 | HNQ | 0.8931 |
57 | XFE | 0.8923 |
58 | 2LY | 0.8921 |
59 | 5WU | 0.8919 |
60 | B0K | 0.8918 |
61 | MYI | 0.8912 |
62 | 7B3 | 0.8902 |
63 | 4A1 | 0.8901 |
64 | EGR | 0.8901 |
65 | F5C | 0.8895 |
66 | 2K8 | 0.8894 |
67 | DK1 | 0.8892 |
68 | CCV | 0.8889 |
69 | 5VJ | 0.8886 |
70 | ALR | 0.8885 |
71 | XEZ | 0.8882 |
72 | JXW | 0.8881 |
73 | B2E | 0.8881 |
74 | 5XL | 0.8879 |
75 | 6X9 | 0.8874 |
76 | 3J8 | 0.8867 |
77 | 4AN | 0.8865 |
78 | 7MX | 0.8865 |
79 | I6G | 0.8863 |
80 | II4 | 0.8862 |
81 | 537 | 0.8859 |
82 | 372 | 0.8857 |
83 | PH2 | 0.8855 |
84 | 8GK | 0.8853 |
85 | TOF | 0.8852 |
86 | K68 | 0.8852 |
87 | Q5M | 0.8847 |
88 | AO6 | 0.8846 |
89 | HA6 | 0.8845 |
90 | JP2 | 0.8842 |
91 | 772 | 0.8841 |
92 | X11 | 0.8836 |
93 | CG8 | 0.8836 |
94 | CIY | 0.8835 |
95 | TIY | 0.8835 |
96 | 582 | 0.8835 |
97 | KLK | 0.8834 |
98 | FXH | 0.8834 |
99 | BK9 | 0.8827 |
100 | MFZ | 0.8820 |
101 | HHR | 0.8820 |
102 | NBV | 0.8820 |
103 | GNJ | 0.8816 |
104 | 2T4 | 0.8810 |
105 | JR2 | 0.8810 |
106 | UQ1 | 0.8810 |
107 | NTZ | 0.8809 |
108 | JYT | 0.8807 |
109 | 4KL | 0.8805 |
110 | PVQ | 0.8804 |
111 | 4ME | 0.8803 |
112 | V1T | 0.8796 |
113 | DBQ | 0.8792 |
114 | JY4 | 0.8791 |
115 | TQU | 0.8789 |
116 | AMR | 0.8785 |
117 | 1KP | 0.8783 |
118 | A0O | 0.8782 |
119 | KY3 | 0.8782 |
120 | MNX | 0.8779 |
121 | CPW | 0.8779 |
122 | 78P | 0.8779 |
123 | JXK | 0.8778 |
124 | HHS | 0.8778 |
125 | CGW | 0.8776 |
126 | 96U | 0.8773 |
127 | PEY | 0.8772 |
128 | CB1 | 0.8772 |
129 | 4XY | 0.8770 |
130 | 5WY | 0.8769 |
131 | N8Y | 0.8767 |
132 | E35 | 0.8764 |
133 | 1X8 | 0.8760 |
134 | MUA | 0.8759 |
135 | MT8 | 0.8758 |
136 | B56 | 0.8756 |
137 | RH1 | 0.8752 |
138 | JXZ | 0.8752 |
139 | 7M6 | 0.8751 |
140 | ETV | 0.8749 |
141 | M6Z | 0.8745 |
142 | FSU | 0.8745 |
143 | 0F9 | 0.8745 |
144 | TQ1 | 0.8740 |
145 | 0Q2 | 0.8733 |
146 | AH6 | 0.8730 |
147 | 3Y7 | 0.8729 |
148 | VXX | 0.8728 |
149 | N7I | 0.8727 |
150 | CFF | 0.8725 |
151 | 0FO | 0.8724 |
152 | E1K | 0.8724 |
153 | HBI | 0.8723 |
154 | 0FK | 0.8722 |
155 | HWH | 0.8722 |
156 | BB4 | 0.8722 |
157 | ZZZ | 0.8720 |
158 | PVK | 0.8719 |
159 | OUB | 0.8719 |
160 | QX4 | 0.8719 |
161 | DPZ | 0.8718 |
162 | UAN | 0.8715 |
163 | 7ZE | 0.8715 |
164 | DNC | 0.8712 |
165 | 878 | 0.8711 |
166 | AJV | 0.8707 |
167 | Z5P | 0.8707 |
168 | ZYV | 0.8706 |
169 | HDU | 0.8705 |
170 | 5OF | 0.8704 |
171 | N0Z | 0.8698 |
172 | GHM | 0.8696 |
173 | MVN | 0.8696 |
174 | Q7A | 0.8696 |
175 | CKA | 0.8695 |
176 | NAG | 0.8695 |
177 | 8HC | 0.8692 |
178 | TXQ | 0.8689 |
179 | 9UL | 0.8688 |
180 | 1X7 | 0.8688 |
181 | X8E | 0.8685 |
182 | MXX | 0.8685 |
183 | VYM | 0.8682 |
184 | B23 | 0.8680 |
185 | CZ0 | 0.8680 |
186 | DPT | 0.8679 |
187 | GNM | 0.8679 |
188 | WUB | 0.8675 |
189 | QPR | 0.8674 |
190 | DNA | 0.8674 |
191 | PBG | 0.8673 |
192 | H4B | 0.8673 |
193 | Z73 | 0.8670 |
194 | JF2 | 0.8664 |
195 | 9FE | 0.8662 |
196 | 2SX | 0.8661 |
197 | H70 | 0.8660 |
198 | HRM | 0.8660 |
199 | DY5 | 0.8657 |
200 | DX3 | 0.8652 |
201 | 8DA | 0.8651 |
202 | TRF | 0.8651 |
203 | GO1 | 0.8650 |
204 | UXH | 0.8650 |
205 | L21 | 0.8650 |
206 | CK2 | 0.8649 |
207 | EVO | 0.8649 |
208 | 6ME | 0.8644 |
209 | PRF | 0.8642 |
210 | 18N | 0.8638 |
211 | DW5 | 0.8637 |
212 | AJY | 0.8636 |
213 | THM | 0.8635 |
214 | QR2 | 0.8635 |
215 | NID | 0.8634 |
216 | ZSP | 0.8632 |
217 | 11G | 0.8631 |
218 | T6Z | 0.8631 |
219 | K3Q | 0.8630 |
220 | TCR | 0.8630 |
221 | 44V | 0.8627 |
222 | BHF | 0.8627 |
223 | Q77 | 0.8626 |
224 | K37 | 0.8625 |
225 | IPT | 0.8625 |
226 | TRP | 0.8624 |
227 | 39O | 0.8624 |
228 | 465 | 0.8623 |
229 | 8Y7 | 0.8623 |
230 | ROI | 0.8623 |
231 | 9MG | 0.8620 |
232 | DQU | 0.8620 |
233 | FER | 0.8620 |
234 | GNY | 0.8619 |
235 | BIO | 0.8618 |
236 | 4UB | 0.8616 |
237 | XHP | 0.8615 |
238 | DNF | 0.8614 |
239 | GJK | 0.8613 |
240 | 5PX | 0.8612 |
241 | M9N | 0.8612 |
242 | GRI | 0.8611 |
243 | 6E8 | 0.8610 |
244 | 4NO | 0.8610 |
245 | RHN | 0.8609 |
246 | 2J9 | 0.8609 |
247 | B60 | 0.8607 |
248 | BDP | 0.8606 |
249 | H7S | 0.8605 |
250 | H33 | 0.8604 |
251 | I7C | 0.8600 |
252 | B62 | 0.8599 |
253 | MAQ | 0.8599 |
254 | 44W | 0.8599 |
255 | 8MO | 0.8598 |
256 | VK3 | 0.8598 |
257 | RB2 | 0.8596 |
258 | 4MU | 0.8594 |
259 | 19E | 0.8594 |
260 | SU9 | 0.8592 |
261 | XQK | 0.8591 |
262 | EY7 | 0.8587 |
263 | H5B | 0.8587 |
264 | 209 | 0.8586 |
265 | M5H | 0.8586 |
266 | ZYR | 0.8585 |
267 | 2AN | 0.8585 |
268 | TCW | 0.8585 |
269 | LP8 | 0.8583 |
270 | 5VL | 0.8582 |
271 | LI6 | 0.8580 |
272 | MAG | 0.8579 |
273 | OTW | 0.8575 |
274 | 6ZW | 0.8573 |
275 | 2AK | 0.8570 |
276 | N88 | 0.8567 |
277 | ML1 | 0.8566 |
278 | UN9 | 0.8561 |
279 | JYB | 0.8560 |
280 | RXA | 0.8558 |
281 | GO8 | 0.8557 |
282 | 1A7 | 0.8557 |
283 | KDO | 0.8553 |
284 | 27M | 0.8550 |
285 | 5JT | 0.8549 |
286 | SYA | 0.8548 |
287 | M9K | 0.8540 |
288 | HQD | 0.8536 |
289 | G6P | 0.8526 |
290 | APS | 0.8526 |
291 | CLZ | 0.8522 |
292 | INE | 0.8520 |
293 | AZ9 | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 5fh7.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5fh7.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |