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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 1 families. | |||||
1 | 5LUB | ic50 = 0.7 uM | 3Y7 | C10 H12 N4 O2 | c1cc(c2c(c.... |
2 | 5LU9 | - | 3Y7 | C10 H12 N4 O2 | c1cc(c2c(c.... |
3 | 5LU8 | - | 5KN | C14 H21 N3 O2 | c1cc(c(cc1.... |
4 | 5LUA | - | 5KN | C14 H21 N3 O2 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5LUB | ic50 = 0.7 uM | 3Y7 | C10 H12 N4 O2 | c1cc(c2c(c.... |
2 | 5LU9 | - | 3Y7 | C10 H12 N4 O2 | c1cc(c2c(c.... |
3 | 5LU8 | - | 5KN | C14 H21 N3 O2 | c1cc(c(cc1.... |
4 | 5LUA | - | 5KN | C14 H21 N3 O2 | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5KN | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FX5 | 0.9427 |
2 | 43G | 0.9341 |
3 | 9XZ | 0.9339 |
4 | HKK | 0.9281 |
5 | T1D | 0.9212 |
6 | 69W | 0.9205 |
7 | 0MB | 0.9189 |
8 | 0SX | 0.9162 |
9 | Q8G | 0.9123 |
10 | Q8D | 0.9112 |
11 | WDW | 0.9107 |
12 | 6JO | 0.9102 |
13 | SU9 | 0.9080 |
14 | 6JM | 0.9078 |
15 | SNJ | 0.9077 |
16 | K4T | 0.9062 |
17 | LNN | 0.9047 |
18 | WM9 | 0.9047 |
19 | 4B2 | 0.9035 |
20 | 1V4 | 0.9034 |
21 | ROL | 0.9022 |
22 | 3WL | 0.9022 |
23 | 5UH | 0.9020 |
24 | VRV | 0.9014 |
25 | FSE | 0.9010 |
26 | XO3 | 0.9000 |
27 | DFL | 0.8991 |
28 | 4UB | 0.8972 |
29 | 20D | 0.8962 |
30 | QUE | 0.8956 |
31 | BHF | 0.8952 |
32 | KMP | 0.8949 |
33 | Q7U | 0.8947 |
34 | E3U | 0.8943 |
35 | PIQ | 0.8939 |
36 | K8W | 0.8937 |
37 | NIF | 0.8936 |
38 | N88 | 0.8935 |
39 | QR2 | 0.8927 |
40 | 34L | 0.8919 |
41 | 8HH | 0.8919 |
42 | UN3 | 0.8911 |
43 | FZ6 | 0.8901 |
44 | A73 | 0.8898 |
45 | 5P3 | 0.8894 |
46 | 272 | 0.8890 |
47 | 6NZ | 0.8889 |
48 | 1V1 | 0.8888 |
49 | 77X | 0.8887 |
50 | MYU | 0.8885 |
51 | 49P | 0.8883 |
52 | KM2 | 0.8879 |
53 | GG5 | 0.8879 |
54 | IK1 | 0.8870 |
55 | LIG | 0.8869 |
56 | AED | 0.8866 |
57 | 5F8 | 0.8864 |
58 | CUE | 0.8863 |
59 | 1FE | 0.8862 |
60 | 5V5 | 0.8859 |
61 | 362 | 0.8858 |
62 | DFV | 0.8854 |
63 | 3JC | 0.8853 |
64 | 3DE | 0.8852 |
65 | 6XC | 0.8848 |
66 | 1V3 | 0.8846 |
67 | KWB | 0.8841 |
68 | BRY | 0.8840 |
69 | LU2 | 0.8839 |
70 | 40N | 0.8839 |
71 | V2Z | 0.8835 |
72 | BL7 | 0.8835 |
73 | AGI | 0.8833 |
74 | HH6 | 0.8830 |
75 | STS | 0.8830 |
76 | S45 | 0.8830 |
77 | 20P | 0.8826 |
78 | DDC | 0.8825 |
79 | 1CM | 0.8825 |
80 | 3C5 | 0.8825 |
81 | 1ER | 0.8823 |
82 | 25F | 0.8822 |
83 | E9L | 0.8822 |
84 | FOY | 0.8820 |
85 | M3W | 0.8819 |
86 | FZ0 | 0.8819 |
87 | 1AJ | 0.8814 |
88 | IDZ | 0.8810 |
89 | 57D | 0.8810 |
90 | MYC | 0.8810 |
91 | NU3 | 0.8807 |
92 | 57U | 0.8807 |
93 | BTD | 0.8806 |
94 | 4AU | 0.8803 |
95 | L5D | 0.8801 |
96 | 509 | 0.8796 |
97 | 2PW | 0.8796 |
98 | PZB | 0.8795 |
99 | DX2 | 0.8791 |
100 | BIT | 0.8790 |
101 | 6TJ | 0.8787 |
102 | LI7 | 0.8787 |
103 | S1D | 0.8780 |
104 | 78P | 0.8769 |
105 | 517 | 0.8768 |
106 | YEX | 0.8768 |
107 | YE7 | 0.8765 |
108 | U7E | 0.8761 |
109 | 3F4 | 0.8760 |
110 | U12 | 0.8759 |
111 | 0LO | 0.8756 |
112 | 36I | 0.8755 |
113 | XEZ | 0.8754 |
114 | A6W | 0.8752 |
115 | D25 | 0.8752 |
116 | 2GE | 0.8752 |
117 | 73U | 0.8750 |
118 | 5V6 | 0.8748 |
119 | F40 | 0.8742 |
120 | SAK | 0.8741 |
121 | BL6 | 0.8741 |
122 | 6QT | 0.8741 |
123 | YE6 | 0.8737 |
124 | 6DH | 0.8736 |
125 | AUV | 0.8736 |
126 | P4L | 0.8733 |
127 | YZ9 | 0.8732 |
128 | MVJ | 0.8731 |
129 | WVV | 0.8729 |
130 | BBP | 0.8728 |
131 | I0G | 0.8727 |
132 | AVA | 0.8726 |
133 | X2L | 0.8725 |
134 | 5FL | 0.8724 |
135 | 90G | 0.8724 |
136 | 1AV | 0.8722 |
137 | 1FL | 0.8720 |
138 | L1T | 0.8720 |
139 | 6BK | 0.8719 |
140 | L3L | 0.8718 |
141 | SZ5 | 0.8718 |
142 | JHY | 0.8718 |
143 | LF5 | 0.8713 |
144 | CC6 | 0.8711 |
145 | GUS | 0.8711 |
146 | 2LW | 0.8711 |
147 | LRW | 0.8710 |
148 | IPJ | 0.8705 |
149 | DXK | 0.8701 |
150 | JF5 | 0.8700 |
151 | BN1 | 0.8699 |
152 | NAR | 0.8699 |
153 | D1G | 0.8697 |
154 | A05 | 0.8697 |
155 | GB2 | 0.8696 |
156 | ALA PHE | 0.8693 |
157 | BJ4 | 0.8692 |
158 | IQQ | 0.8691 |
159 | JVB | 0.8689 |
160 | AO6 | 0.8688 |
161 | 8RK | 0.8687 |
162 | FNT | 0.8684 |
163 | WLH | 0.8683 |
164 | AB3 | 0.8681 |
165 | 6F3 | 0.8681 |
166 | X8E | 0.8680 |
167 | 108 | 0.8680 |
168 | KXN | 0.8680 |
169 | 1CE | 0.8678 |
170 | MT6 | 0.8677 |
171 | P9I | 0.8677 |
172 | 6FX | 0.8677 |
173 | 3GX | 0.8676 |
174 | T21 | 0.8675 |
175 | 8XT | 0.8674 |
176 | MKN | 0.8673 |
177 | VT3 | 0.8671 |
178 | Z3R | 0.8669 |
179 | PP1 | 0.8668 |
180 | 338 | 0.8666 |
181 | Q4G | 0.8664 |
182 | 553 | 0.8663 |
183 | B4L | 0.8663 |
184 | HWB | 0.8662 |
185 | BZM | 0.8661 |
186 | 6DQ | 0.8658 |
187 | 7M5 | 0.8654 |
188 | PP2 | 0.8654 |
189 | OTA | 0.8651 |
190 | 761 | 0.8651 |
191 | U14 | 0.8650 |
192 | O9Q | 0.8649 |
193 | TCR | 0.8649 |
194 | 22T | 0.8648 |
195 | 2OX | 0.8645 |
196 | RKY | 0.8645 |
197 | 7G2 | 0.8644 |
198 | 97K | 0.8637 |
199 | JVD | 0.8633 |
200 | VKE | 0.8633 |
201 | 4RG | 0.8629 |
202 | CDJ | 0.8629 |
203 | UMP | 0.8629 |
204 | AIR | 0.8628 |
205 | 801 | 0.8627 |
206 | RGK | 0.8623 |
207 | LC1 | 0.8623 |
208 | VM1 | 0.8623 |
209 | 4G2 | 0.8623 |
210 | 0H5 | 0.8621 |
211 | CWE | 0.8618 |
212 | RI2 | 0.8617 |
213 | UN9 | 0.8613 |
214 | EYA | 0.8612 |
215 | 0OM | 0.8608 |
216 | OA5 | 0.8608 |
217 | RF2 | 0.8607 |
218 | 4JW | 0.8607 |
219 | T5J | 0.8602 |
220 | II4 | 0.8600 |
221 | 5F5 | 0.8598 |
222 | 9F5 | 0.8597 |
223 | CFK | 0.8596 |
224 | HA6 | 0.8591 |
225 | 1XS | 0.8569 |
226 | HUL | 0.8569 |
227 | A9B | 0.8567 |
228 | KU1 | 0.8563 |
229 | J1K | 0.8561 |
230 | DQH | 0.8555 |
231 | NKI | 0.8552 |
232 | S62 | 0.8551 |
233 | LR2 | 0.8548 |
234 | 6KN | 0.8548 |
235 | BUX | 0.8545 |
236 | PVP | 0.8545 |
237 | 4FF | 0.8540 |
238 | Q92 | 0.8538 |
239 | TI7 | 0.8538 |
240 | 5NN | 0.8527 |
241 | BL4 | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 5lub.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |