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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 5 families. | |||||
1 | 5OQW | ic50 < 40 nM | A4E | C30 H43 F N5 O3 | C[C@@H]1CN.... |
2 | 6H6R | - | FUE | C32 H36 F N5 O2 | C[C@@H]1CN.... |
3 | 5M6E | - | 7HT | C28 H37 N6 O | Cc1cnn(c1).... |
4 | 5M6F | ic50 = 220 nM | 7HU | C25 H35 N4 O2 | C[C@@H]1CN.... |
5 | 5M6M | ic50 = 44 nM | 7H8 | C28 H38 N5 O2 | C[C@@H]1CN.... |
6 | 5M6H | ic50 = 150 nM | 7J6 | C28 H38 N5 O3 | C[C@@H]1CN.... |
7 | 3HL5 | - | 9JZ | C28 H38 N6 O3 | C[C@H]1CCN.... |
8 | 2VSL | Ki = 4 nM | MAA LYS PRO PHE | n/a | n/a |
9 | 1XB0 | - | ALA VAL PRO ILE ALA GLN LYS | n/a | n/a |
10 | 3CM2 | Ki = 340 nM | X23 | C28 H37 N5 O3 | CC[C@@H](C.... |
11 | 5C7A | - | 4YE | C15 H22 N3 O | C[C@@H]1CN.... |
12 | 5C3K | ic50 = 110 uM | 4XF | C8 H13 N4 O | C[C@@H](C(.... |
13 | 5C7D | ic50 = 7.7 uM | 4YF | C14 H20 Cl N4 O | C[C@@H]1CN.... |
14 | 5C83 | ic50 = 0.16 uM | 4YN | C25 H35 N4 O2 | C[C@@H]1CN.... |
15 | 5C84 | ic50 = 0.64 uM | 4YL | C18 H28 Cl N4 O2 | C[C@@H]1CN.... |
16 | 5C0K | ic50 = 1200 uM | 4WK | C8 H18 N3 O2 | C[C@@H](C(.... |
17 | 5C7C | ic50 = 5.5 uM | 4YC | C17 H25 Cl N3 O | C[C@@H]1CN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 4KJU | ic50 = 0.006 uM | 1RH | C32 H33 N5 O4 | C[C@@H](C(.... |
2 | 4KJV | ic50 = 0.018 uM | 1RK | C30 H33 N3 O7 | C[C@@H](C(.... |
3 | 4J48 | Ki = 2.41 uM | ALA MET ARG VAL | n/a | n/a |
4 | 4J45 | Ki = 1.7 uM | ALA THR ALA ALA | n/a | n/a |
5 | 4J46 | Ki = 5.24 uM | ALA VAL PRO ILE | n/a | n/a |
6 | 4J47 | Ki = 12.02 uM | SER VAL PRO ILE | n/a | n/a |
7 | 4J44 | Ki = 1.87 uM | ALA ILE ALA VAL | n/a | n/a |
8 | 4HY5 | ic50 = 1.3 nM | 1AQ | C31 H45 F2 N5 O5 | CCO[C@@H]1.... |
9 | 4MTI | ic50 = 1.2 nM | 2DX | C30 H45 N5 O4 | CC[C@@H](C.... |
10 | 4LGU | ic50 = 2.1 nM | 1YH | C29 H43 N5 O4 | C[C@@H](C(.... |
11 | 3F7G | - | 389 | C27 H36 N4 O3 | C[C@@H](C(.... |
12 | 3D9T | Kd = 48 nM | ALA THR PRO PHE GLN GLU | n/a | n/a |
13 | 5M6N | - | 7H9 | C29 H41 F N5 O2 | C[C@@H]1CN.... |
14 | 5M6E | - | 7HT | C28 H37 N6 O | Cc1cnn(c1).... |
15 | 5M6F | ic50 = 220 nM | 7HU | C25 H35 N4 O2 | C[C@@H]1CN.... |
16 | 5M6M | ic50 = 44 nM | 7H8 | C28 H38 N5 O2 | C[C@@H]1CN.... |
17 | 5M6H | ic50 = 150 nM | 7J6 | C28 H38 N5 O3 | C[C@@H]1CN.... |
18 | 3HL5 | - | 9JZ | C28 H38 N6 O3 | C[C@H]1CCN.... |
19 | 2VSL | Ki = 4 nM | MAA LYS PRO PHE | n/a | n/a |
20 | 3GTA | - | 851 | C29 H36 N4 O2 S | C[C@@H](C(.... |
21 | 3GT9 | - | 516 | C29 H36 N4 O2 S | C[C@@H](C(.... |
22 | 2I3I | Ki = 0.05 uM | 618 | C25 H32 N6 O3 S | Cc1cc(n(n1.... |
23 | 3F7I | - | G13 | C28 H38 N4 O3 | C[C@@H](C(.... |
24 | 1XB0 | - | ALA VAL PRO ILE ALA GLN LYS | n/a | n/a |
25 | 3CM2 | Ki = 340 nM | X23 | C28 H37 N5 O3 | CC[C@@H](C.... |
26 | 4WVU | ic50 = 1.97 uM | MAA VAL 3V8 PHE HOX | n/a | n/a |
27 | 4WVT | ic50 = 4.87 uM | MAA PHE PRO PHE PHE 3V7 | n/a | n/a |
28 | 4WVS | ic50 = 0.54 uM | MAA LPH PRO PHE 4LZ | n/a | n/a |
29 | 5C7A | - | 4YE | C15 H22 N3 O | C[C@@H]1CN.... |
30 | 5C3K | ic50 = 110 uM | 4XF | C8 H13 N4 O | C[C@@H](C(.... |
31 | 5C7D | ic50 = 7.7 uM | 4YF | C14 H20 Cl N4 O | C[C@@H]1CN.... |
32 | 5C83 | ic50 = 0.16 uM | 4YN | C25 H35 N4 O2 | C[C@@H]1CN.... |
33 | 5C84 | ic50 = 0.64 uM | 4YL | C18 H28 Cl N4 O2 | C[C@@H]1CN.... |
34 | 5C0K | ic50 = 1200 uM | 4WK | C8 H18 N3 O2 | C[C@@H](C(.... |
35 | 5C7C | ic50 = 5.5 uM | 4YC | C17 H25 Cl N3 O | C[C@@H]1CN.... |
36 | 3UW4 | Ki = 0.017 uM | MAA CHG PRO 0DQ | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D5F | 0.9513 |
2 | LU2 | 0.9300 |
3 | LZ7 | 0.9275 |
4 | D4O | 0.9274 |
5 | ZW2 | 0.9244 |
6 | L12 | 0.9219 |
7 | QS4 | 0.9215 |
8 | M62 | 0.9208 |
9 | SCE | 0.9183 |
10 | D4X | 0.9173 |
11 | EMU | 0.9143 |
12 | 6XC | 0.9137 |
13 | 8M5 | 0.9133 |
14 | 7LU | 0.9120 |
15 | QUE | 0.9094 |
16 | OUG | 0.9092 |
17 | KTV | 0.9085 |
18 | 100 | 0.9077 |
19 | J8D | 0.9072 |
20 | ZEA | 0.9070 |
21 | 5XM | 0.9067 |
22 | 1V8 | 0.9066 |
23 | M77 | 0.9062 |
24 | FY8 | 0.9059 |
25 | OUA | 0.9049 |
26 | 6BK | 0.9049 |
27 | D8B | 0.9040 |
28 | 41L | 0.9039 |
29 | DN8 | 0.9039 |
30 | 97K | 0.9036 |
31 | SIJ | 0.9024 |
32 | 3TI | 0.9022 |
33 | 3WL | 0.9020 |
34 | MYC | 0.9017 |
35 | AEY | 0.9017 |
36 | FIP | 0.9008 |
37 | NAR | 0.8998 |
38 | KVD | 0.8994 |
39 | WA2 | 0.8991 |
40 | F13 | 0.8955 |
41 | PE2 | 0.8953 |
42 | CWE | 0.8953 |
43 | DH2 | 0.8947 |
44 | HCC | 0.8944 |
45 | O9Q | 0.8943 |
46 | 5V3 | 0.8943 |
47 | 6FX | 0.8941 |
48 | MT6 | 0.8940 |
49 | VXM | 0.8939 |
50 | JCQ | 0.8937 |
51 | SAK | 0.8933 |
52 | 8MF | 0.8932 |
53 | ZEZ | 0.8931 |
54 | AJ4 | 0.8928 |
55 | H0V | 0.8927 |
56 | C0V | 0.8926 |
57 | 3JC | 0.8923 |
58 | ML1 | 0.8919 |
59 | 22M | 0.8917 |
60 | 15I | 0.8916 |
61 | EEY | 0.8916 |
62 | T5J | 0.8915 |
63 | 1Q4 | 0.8910 |
64 | MH5 | 0.8908 |
65 | CMG | 0.8908 |
66 | DZ2 | 0.8908 |
67 | IW4 | 0.8906 |
68 | DQH | 0.8905 |
69 | G30 | 0.8900 |
70 | CIU | 0.8900 |
71 | C4F | 0.8900 |
72 | 6B5 | 0.8893 |
73 | DX6 | 0.8891 |
74 | BC3 | 0.8891 |
75 | VXP | 0.8889 |
76 | 20D | 0.8882 |
77 | 57D | 0.8882 |
78 | KMP | 0.8881 |
79 | WG8 | 0.8880 |
80 | DFL | 0.8880 |
81 | Q5M | 0.8879 |
82 | 2OX | 0.8878 |
83 | 6JP | 0.8877 |
84 | AGI | 0.8875 |
85 | UV4 | 0.8866 |
86 | B4L | 0.8866 |
87 | 0HV | 0.8865 |
88 | IPL | 0.8864 |
89 | DZ3 | 0.8864 |
90 | 4KN | 0.8864 |
91 | 9RK | 0.8863 |
92 | F91 | 0.8863 |
93 | TYP | 0.8859 |
94 | 4RG | 0.8850 |
95 | 5R9 | 0.8848 |
96 | L3L | 0.8848 |
97 | 00G | 0.8847 |
98 | 0OP | 0.8843 |
99 | 4ZW | 0.8842 |
100 | PZX | 0.8842 |
101 | BUN | 0.8840 |
102 | 338 | 0.8840 |
103 | BZM | 0.8838 |
104 | 6QT | 0.8836 |
105 | IM5 | 0.8836 |
106 | BFS | 0.8835 |
107 | T61 | 0.8834 |
108 | 0RB | 0.8833 |
109 | 5PK | 0.8833 |
110 | A63 | 0.8832 |
111 | IXG | 0.8825 |
112 | O9Z | 0.8821 |
113 | IRH | 0.8819 |
114 | 9M9 | 0.8817 |
115 | 3XL | 0.8816 |
116 | DFV | 0.8815 |
117 | FSE | 0.8811 |
118 | TKT | 0.8811 |
119 | 39R | 0.8808 |
120 | 9ME | 0.8808 |
121 | T21 | 0.8808 |
122 | 5YA | 0.8805 |
123 | O9T | 0.8804 |
124 | J8G | 0.8803 |
125 | 9JH | 0.8802 |
126 | KTM | 0.8802 |
127 | ASE | 0.8801 |
128 | A0R | 0.8797 |
129 | 35K | 0.8797 |
130 | WLH | 0.8796 |
131 | FL8 | 0.8796 |
132 | CWP | 0.8792 |
133 | GVI | 0.8791 |
134 | MYU | 0.8788 |
135 | FZB | 0.8788 |
136 | 0QV | 0.8787 |
137 | 4L2 | 0.8786 |
138 | 4ZF | 0.8785 |
139 | CMZ | 0.8784 |
140 | 5AV | 0.8783 |
141 | GJW | 0.8781 |
142 | AJ6 | 0.8780 |
143 | CHJ | 0.8780 |
144 | JBB | 0.8780 |
145 | 5MX | 0.8779 |
146 | 7ZO | 0.8778 |
147 | 4K2 | 0.8777 |
148 | GQZ | 0.8770 |
149 | U14 | 0.8769 |
150 | 0RU | 0.8768 |
151 | IDZ | 0.8764 |
152 | 0QX | 0.8764 |
153 | 4P9 | 0.8760 |
154 | D59 | 0.8760 |
155 | HMX | 0.8757 |
156 | 4JV | 0.8756 |
157 | H35 | 0.8756 |
158 | 8KW | 0.8756 |
159 | EXP | 0.8754 |
160 | OAG | 0.8750 |
161 | 0H5 | 0.8750 |
162 | HWB | 0.8747 |
163 | TCT | 0.8742 |
164 | CR4 | 0.8740 |
165 | BMZ | 0.8737 |
166 | KXN | 0.8735 |
167 | HPX | 0.8733 |
168 | 2L2 | 0.8733 |
169 | 94M | 0.8732 |
170 | SZ5 | 0.8731 |
171 | 122 | 0.8729 |
172 | RGK | 0.8729 |
173 | MRI | 0.8728 |
174 | AT2 | 0.8727 |
175 | EBB | 0.8724 |
176 | 0LA | 0.8723 |
177 | DDC | 0.8723 |
178 | NU3 | 0.8718 |
179 | E9L | 0.8717 |
180 | U12 | 0.8716 |
181 | 6DQ | 0.8716 |
182 | IGP | 0.8715 |
183 | A73 | 0.8714 |
184 | 4YL | 0.8714 |
185 | A11 | 0.8713 |
186 | NPZ | 0.8712 |
187 | 3F4 | 0.8711 |
188 | 5WK | 0.8707 |
189 | QTJ | 0.8706 |
190 | CC6 | 0.8699 |
191 | 1OX | 0.8697 |
192 | FNT | 0.8696 |
193 | HY7 | 0.8693 |
194 | 25K | 0.8688 |
195 | XYP XIM | 0.8687 |
196 | DZ1 | 0.8685 |
197 | HWH | 0.8682 |
198 | 1V1 | 0.8682 |
199 | 6JO | 0.8681 |
200 | ZIP | 0.8679 |
201 | C09 | 0.8668 |
202 | IPJ | 0.8667 |
203 | 7DE | 0.8666 |
204 | 3QI | 0.8655 |
205 | PNX | 0.8652 |
206 | BXS | 0.8651 |
207 | BGK | 0.8650 |
208 | H32 | 0.8649 |
209 | M3W | 0.8649 |
210 | A45 | 0.8647 |
211 | UN9 | 0.8647 |
212 | QEI | 0.8646 |
213 | JVD | 0.8644 |
214 | 40N | 0.8642 |
215 | PV0 | 0.8641 |
216 | IAG | 0.8640 |
217 | FL9 | 0.8638 |
218 | NQE | 0.8638 |
219 | PQD | 0.8636 |
220 | 5WW | 0.8636 |
221 | FCW | 0.8634 |
222 | OZM | 0.8633 |
223 | WUL | 0.8630 |
224 | LJ1 | 0.8629 |
225 | DIH | 0.8628 |
226 | H2W | 0.8628 |
227 | NZ4 | 0.8627 |
228 | 25F | 0.8627 |
229 | A8D | 0.8626 |
230 | XG1 | 0.8626 |
231 | 9N2 | 0.8624 |
232 | OVS | 0.8623 |
233 | ND5 | 0.8620 |
234 | 4VC | 0.8617 |
235 | 26A | 0.8617 |
236 | 0NH | 0.8611 |
237 | NAL | 0.8610 |
238 | MGI | 0.8608 |
239 | 108 | 0.8608 |
240 | Q19 | 0.8606 |
241 | 6JM | 0.8597 |
242 | XYP XYP | 0.8594 |
243 | QUB | 0.8592 |
244 | U55 | 0.8590 |
245 | AX5 | 0.8589 |
246 | BUX | 0.8588 |
247 | 4CN | 0.8583 |
248 | 69W | 0.8582 |
249 | 5V0 | 0.8575 |
250 | QDN | 0.8574 |
251 | 3N5 | 0.8571 |
252 | LC1 | 0.8566 |
253 | HHV | 0.8559 |
254 | 9W7 | 0.8555 |
255 | NIF | 0.8555 |
256 | 15Q | 0.8552 |
257 | 9X0 | 0.8551 |
258 | IEE | 0.8548 |
259 | NXB | 0.8548 |
260 | Q11 | 0.8548 |
261 | E7E | 0.8542 |
262 | QAD | 0.8513 |
263 | M08 | 0.8511 |
264 | F5N | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 5c83.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |