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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 14 families. | |||||
1 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
2 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
3 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
4 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
5 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
6 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 78P | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | L3L | 0.9392 |
2 | HA6 | 0.9312 |
3 | Q5M | 0.9259 |
4 | UN4 | 0.9217 |
5 | 7I2 | 0.9210 |
6 | IL5 | 0.9178 |
7 | ELH | 0.9151 |
8 | FSU | 0.9134 |
9 | MBP | 0.9123 |
10 | GZV | 0.9122 |
11 | CMG | 0.9106 |
12 | 5JT | 0.9092 |
13 | 5WT | 0.9090 |
14 | YEX | 0.9080 |
15 | H35 | 0.9077 |
16 | 6TJ | 0.9077 |
17 | ZYV | 0.9076 |
18 | QUB | 0.9074 |
19 | NU3 | 0.9073 |
20 | 5WS | 0.9067 |
21 | MUX | 0.9063 |
22 | M01 | 0.9060 |
23 | 56N | 0.9054 |
24 | KMP | 0.9050 |
25 | KWB | 0.9049 |
26 | 57D | 0.9044 |
27 | KLV | 0.9044 |
28 | 3Y7 | 0.9044 |
29 | HHV | 0.9043 |
30 | 5P3 | 0.9037 |
31 | PJK | 0.9033 |
32 | 531 | 0.9031 |
33 | 5NN | 0.9028 |
34 | 3WN | 0.9028 |
35 | 3WO | 0.9028 |
36 | SG2 | 0.9026 |
37 | XFE | 0.9025 |
38 | OSB | 0.9025 |
39 | ZEA | 0.9019 |
40 | H4B | 0.9017 |
41 | CUT | 0.9016 |
42 | NAR | 0.9015 |
43 | DXK | 0.9012 |
44 | 7NU | 0.9011 |
45 | EMU | 0.9011 |
46 | AGI | 0.9002 |
47 | AZY | 0.8992 |
48 | EYM | 0.8991 |
49 | 3WK | 0.8988 |
50 | NTF | 0.8986 |
51 | FF2 | 0.8984 |
52 | 6ZW | 0.8983 |
53 | 0SY | 0.8983 |
54 | WLH | 0.8982 |
55 | YE7 | 0.8981 |
56 | AC2 | 0.8976 |
57 | CHQ | 0.8972 |
58 | 5RM | 0.8968 |
59 | 0RY | 0.8961 |
60 | 2GQ | 0.8956 |
61 | BIO | 0.8950 |
62 | 64F | 0.8947 |
63 | 7L4 | 0.8945 |
64 | 3JC | 0.8945 |
65 | NIY | 0.8944 |
66 | QMS | 0.8943 |
67 | ZME | 0.8942 |
68 | X0T | 0.8941 |
69 | CX4 | 0.8936 |
70 | V2Z | 0.8935 |
71 | 6XC | 0.8933 |
72 | 67Y | 0.8932 |
73 | GA2 | 0.8928 |
74 | 4L2 | 0.8927 |
75 | 0OP | 0.8926 |
76 | CDY | 0.8926 |
77 | H7S | 0.8926 |
78 | FER | 0.8925 |
79 | GL6 | 0.8924 |
80 | JOH | 0.8923 |
81 | G6P | 0.8921 |
82 | BDI | 0.8920 |
83 | 1Q4 | 0.8919 |
84 | 8G6 | 0.8919 |
85 | KFN | 0.8918 |
86 | 1QV | 0.8915 |
87 | 4K2 | 0.8915 |
88 | EXD | 0.8915 |
89 | 4AB | 0.8914 |
90 | QR2 | 0.8914 |
91 | WUB | 0.8913 |
92 | B23 | 0.8912 |
93 | CR1 | 0.8911 |
94 | H2B | 0.8910 |
95 | HBI | 0.8910 |
96 | FUZ | 0.8909 |
97 | 3AK | 0.8909 |
98 | 3GX | 0.8907 |
99 | F40 | 0.8907 |
100 | ZRK | 0.8907 |
101 | EYA | 0.8899 |
102 | B4L | 0.8899 |
103 | 1X8 | 0.8895 |
104 | IK1 | 0.8895 |
105 | ZEZ | 0.8894 |
106 | TRP | 0.8889 |
107 | GRX | 0.8889 |
108 | 3WJ | 0.8887 |
109 | ALR | 0.8886 |
110 | CUH | 0.8885 |
111 | ZRL | 0.8885 |
112 | M3W | 0.8884 |
113 | ET0 | 0.8882 |
114 | AH9 | 0.8881 |
115 | P4L | 0.8880 |
116 | M02 | 0.8879 |
117 | 4F8 | 0.8878 |
118 | GMP | 0.8877 |
119 | MXD | 0.8877 |
120 | 774 | 0.8874 |
121 | RVE | 0.8874 |
122 | DBS | 0.8873 |
123 | QC1 | 0.8872 |
124 | GNG | 0.8865 |
125 | ZIP | 0.8865 |
126 | NFZ | 0.8864 |
127 | NIR | 0.8862 |
128 | 5E4 | 0.8858 |
129 | LI4 | 0.8857 |
130 | 6NZ | 0.8857 |
131 | 34L | 0.8855 |
132 | 5AD | 0.8852 |
133 | GO8 | 0.8852 |
134 | A4V | 0.8852 |
135 | KYN | 0.8849 |
136 | GNV | 0.8849 |
137 | WS7 | 0.8848 |
138 | FYJ | 0.8845 |
139 | 3D8 | 0.8845 |
140 | 8HH | 0.8841 |
141 | ID8 | 0.8839 |
142 | JTF | 0.8837 |
143 | F5C | 0.8837 |
144 | 6PB | 0.8837 |
145 | 55D | 0.8837 |
146 | 0J4 | 0.8837 |
147 | RUG | 0.8836 |
148 | PLP | 0.8835 |
149 | CL9 | 0.8833 |
150 | B21 | 0.8833 |
151 | 1FL | 0.8831 |
152 | C09 | 0.8830 |
153 | A4G | 0.8829 |
154 | AKD | 0.8824 |
155 | N88 | 0.8823 |
156 | P9I | 0.8823 |
157 | FY8 | 0.8823 |
158 | MUR | 0.8823 |
159 | VJJ | 0.8823 |
160 | AUY | 0.8821 |
161 | JP2 | 0.8821 |
162 | 7PJ | 0.8817 |
163 | 0H5 | 0.8817 |
164 | BG6 | 0.8815 |
165 | OX2 | 0.8815 |
166 | 2O6 | 0.8814 |
167 | D80 | 0.8813 |
168 | 5OF | 0.8813 |
169 | S1D | 0.8812 |
170 | G1P | 0.8812 |
171 | AJD | 0.8812 |
172 | 2KU | 0.8812 |
173 | AH3 | 0.8811 |
174 | 5F8 | 0.8805 |
175 | 3DT | 0.8803 |
176 | DFL | 0.8803 |
177 | NPA | 0.8802 |
178 | C9M | 0.8802 |
179 | 6J9 | 0.8802 |
180 | O2Y | 0.8800 |
181 | MPP | 0.8799 |
182 | 6J3 | 0.8798 |
183 | WA2 | 0.8796 |
184 | 5V7 | 0.8793 |
185 | X04 | 0.8793 |
186 | N2M | 0.8792 |
187 | VBC | 0.8791 |
188 | IQQ | 0.8786 |
189 | 7A9 | 0.8784 |
190 | JSX | 0.8783 |
191 | KF5 | 0.8781 |
192 | 5B2 | 0.8781 |
193 | MZM | 0.8780 |
194 | 64E | 0.8779 |
195 | IKY | 0.8776 |
196 | YE6 | 0.8776 |
197 | NEU | 0.8774 |
198 | ONZ | 0.8773 |
199 | M6P | 0.8772 |
200 | C4E | 0.8769 |
201 | 5KN | 0.8769 |
202 | 4GU | 0.8767 |
203 | Q4G | 0.8767 |
204 | 0FR | 0.8766 |
205 | X8E | 0.8765 |
206 | 7VF | 0.8764 |
207 | GJK | 0.8764 |
208 | ZYW | 0.8761 |
209 | 2LW | 0.8760 |
210 | ZSP | 0.8760 |
211 | YO5 | 0.8760 |
212 | HKK | 0.8760 |
213 | DE7 | 0.8760 |
214 | 5FL | 0.8759 |
215 | SQM | 0.8758 |
216 | Q9T | 0.8757 |
217 | 5E5 | 0.8755 |
218 | TLF | 0.8754 |
219 | LP8 | 0.8753 |
220 | UKV | 0.8752 |
221 | CTE | 0.8750 |
222 | L07 | 0.8748 |
223 | 2UD | 0.8747 |
224 | BZM | 0.8746 |
225 | WG8 | 0.8745 |
226 | 7AP | 0.8743 |
227 | GI4 | 0.8742 |
228 | THM | 0.8742 |
229 | XZ8 | 0.8741 |
230 | MG7 | 0.8741 |
231 | GI1 | 0.8741 |
232 | JTA | 0.8740 |
233 | 9F8 | 0.8739 |
234 | BGU | 0.8738 |
235 | VT3 | 0.8738 |
236 | 2LX | 0.8737 |
237 | S7D | 0.8735 |
238 | 7ZL | 0.8735 |
239 | WS6 | 0.8735 |
240 | 4P8 | 0.8734 |
241 | 4R1 | 0.8733 |
242 | 5WM | 0.8731 |
243 | TQ1 | 0.8731 |
244 | 0DN | 0.8731 |
245 | 2JK | 0.8730 |
246 | XG1 | 0.8729 |
247 | 0J2 | 0.8729 |
248 | 4GP | 0.8729 |
249 | AVA | 0.8729 |
250 | CFK | 0.8727 |
251 | P83 | 0.8727 |
252 | JO5 | 0.8726 |
253 | ER6 | 0.8723 |
254 | MPU | 0.8722 |
255 | CC5 | 0.8722 |
256 | 4UO | 0.8720 |
257 | 3D1 | 0.8718 |
258 | 6J5 | 0.8716 |
259 | NPL | 0.8716 |
260 | FTU | 0.8715 |
261 | XYA | 0.8713 |
262 | B2E | 0.8713 |
263 | TMC | 0.8712 |
264 | HO4 | 0.8711 |
265 | NWD | 0.8709 |
266 | HFT | 0.8709 |
267 | MUK | 0.8708 |
268 | BZC | 0.8708 |
269 | F6P | 0.8707 |
270 | YM6 | 0.8706 |
271 | KCH | 0.8705 |
272 | 49P | 0.8705 |
273 | DDC | 0.8705 |
274 | RGG | 0.8705 |
275 | 25O | 0.8705 |
276 | G30 | 0.8703 |
277 | 4FF | 0.8701 |
278 | ITE | 0.8701 |
279 | 5V5 | 0.8701 |
280 | DT7 | 0.8700 |
281 | XEZ | 0.8700 |
282 | FNA | 0.8698 |
283 | XEV | 0.8696 |
284 | 96Z | 0.8694 |
285 | TCW | 0.8693 |
286 | AP6 | 0.8693 |
287 | 9E3 | 0.8692 |
288 | 4ZF | 0.8692 |
289 | 5WN | 0.8691 |
290 | 3IL | 0.8691 |
291 | 6DP | 0.8690 |
292 | DBQ | 0.8688 |
293 | 8Y7 | 0.8687 |
294 | DNQ | 0.8687 |
295 | BBY | 0.8684 |
296 | X2M | 0.8682 |
297 | 1HR | 0.8682 |
298 | TU0 | 0.8681 |
299 | PBG | 0.8680 |
300 | EKH | 0.8679 |
301 | 2QU | 0.8679 |
302 | EVO | 0.8679 |
303 | N7I | 0.8679 |
304 | B4O | 0.8678 |
305 | 8HG | 0.8677 |
306 | 5F1 | 0.8675 |
307 | 3L1 | 0.8671 |
308 | GNJ | 0.8671 |
309 | 5BT | 0.8669 |
310 | BOQ | 0.8669 |
311 | MIL | 0.8669 |
312 | XJ2 | 0.8669 |
313 | QMR | 0.8668 |
314 | 9UL | 0.8668 |
315 | 5I5 | 0.8668 |
316 | GVI | 0.8666 |
317 | 9XZ | 0.8666 |
318 | L5D | 0.8665 |
319 | TQU | 0.8664 |
320 | LVY | 0.8663 |
321 | CZ0 | 0.8658 |
322 | LL1 | 0.8656 |
323 | R9G | 0.8656 |
324 | C0W | 0.8656 |
325 | 47N | 0.8653 |
326 | K3Y | 0.8652 |
327 | JR2 | 0.8652 |
328 | 2WU | 0.8651 |
329 | PIQ | 0.8651 |
330 | 5TZ | 0.8651 |
331 | 2T4 | 0.8651 |
332 | TZM | 0.8649 |
333 | ASE | 0.8649 |
334 | 39Z | 0.8648 |
335 | 159 | 0.8647 |
336 | CIY | 0.8645 |
337 | 28S | 0.8645 |
338 | SGV | 0.8642 |
339 | 5P7 | 0.8641 |
340 | HWH | 0.8641 |
341 | SU9 | 0.8640 |
342 | FHI | 0.8636 |
343 | PXP | 0.8634 |
344 | 2JX | 0.8634 |
345 | 5GT | 0.8634 |
346 | 4VT | 0.8633 |
347 | 3AD | 0.8633 |
348 | 9GP | 0.8633 |
349 | BHS | 0.8632 |
350 | 6HP | 0.8632 |
351 | I7A | 0.8632 |
352 | 0DF | 0.8631 |
353 | MFR | 0.8630 |
354 | I2E | 0.8627 |
355 | 5WK | 0.8627 |
356 | S98 | 0.8626 |
357 | 92O | 0.8626 |
358 | 5F5 | 0.8626 |
359 | BJ4 | 0.8625 |
360 | IOS | 0.8624 |
361 | CC6 | 0.8623 |
362 | NIF | 0.8622 |
363 | LU2 | 0.8621 |
364 | ADN | 0.8621 |
365 | IBM | 0.8619 |
366 | 5E1 | 0.8619 |
367 | DTR | 0.8614 |
368 | LLT | 0.8613 |
369 | 22T | 0.8613 |
370 | D87 | 0.8612 |
371 | II4 | 0.8607 |
372 | FC2 | 0.8606 |
373 | M9N | 0.8605 |
374 | W8G | 0.8605 |
375 | 8DA | 0.8605 |
376 | FNT | 0.8604 |
377 | FT6 | 0.8603 |
378 | 7D7 | 0.8603 |
379 | AOJ | 0.8599 |
380 | QZ8 | 0.8599 |
381 | K68 | 0.8596 |
382 | 9RM | 0.8593 |
383 | EGR | 0.8590 |
384 | FCW | 0.8585 |
385 | 2L2 | 0.8584 |
386 | I7B | 0.8583 |
387 | 5FD | 0.8581 |
388 | 4NO | 0.8581 |
389 | DTE | 0.8578 |
390 | 2V0 | 0.8576 |
391 | B61 | 0.8573 |
392 | BVD | 0.8573 |
393 | 5XL | 0.8566 |
394 | EWG | 0.8564 |
395 | U14 | 0.8563 |
396 | B86 | 0.8562 |
397 | BB4 | 0.8559 |
398 | 0GA | 0.8557 |
399 | DK1 | 0.8557 |
400 | EMF | 0.8556 |
401 | 7M2 | 0.8552 |
402 | Q2R | 0.8551 |
403 | I7C | 0.8551 |
404 | APS | 0.8549 |
405 | BNY | 0.8548 |
406 | ABJ | 0.8548 |
407 | JNW | 0.8544 |
408 | ZHA | 0.8544 |
409 | XIF XYP | 0.8542 |
410 | NOS | 0.8541 |
411 | UN9 | 0.8540 |
412 | DT9 | 0.8535 |
413 | HMD | 0.8531 |
414 | XTS | 0.8526 |
415 | ROL | 0.8522 |
416 | JVD | 0.8521 |
417 | 4Z9 | 0.8519 |
418 | 0SX | 0.8517 |
419 | 6QF | 0.8517 |
420 | 2NJ | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 3kjd.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |