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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 4 families. | |||||
1 | 2YC3 | ic50 = 0.14 uM | MW5 | C12 H9 Cl N4 O | c1ccc(cc1).... |
2 | 2YC5 | ic50 = 0.035 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
3 | 4NAK | ic50 = 1.4 uM | PBQ | C10 H4 Br5 N O | c1c(cc(c(c.... |
4 | 2YCM | ic50 = 274 uM | 30A | C14 H10 Cl N3 O3 | c1ccc(cc1).... |
5 | 5MRP | ic50 = 3 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
6 | 4NAN | ic50 = 19 uM | 2JM | C10 H5 Br4 N O | c1cc(c(c(c.... |
7 | 5MRM | ic50 = 9.3 uM | Q9T | C10 H4 Br2 F3 N O2 | c1c(cc(c(c.... |
8 | 1W77 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
9 | 4NAL | ic50 = 2.2 uM | H70 | C10 H4 Br3 Cl2 N O | c1c(cc(c(c.... |
10 | 5MRO | ic50 = 2 uM | Q9P | C12 H9 Cl N4 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2YC3 | ic50 = 0.14 uM | MW5 | C12 H9 Cl N4 O | c1ccc(cc1).... |
2 | 2YC5 | ic50 = 0.035 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
3 | 4NAK | ic50 = 1.4 uM | PBQ | C10 H4 Br5 N O | c1c(cc(c(c.... |
4 | 2YCM | ic50 = 274 uM | 30A | C14 H10 Cl N3 O3 | c1ccc(cc1).... |
5 | 5MRP | ic50 = 3 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
6 | 4NAN | ic50 = 19 uM | 2JM | C10 H5 Br4 N O | c1cc(c(c(c.... |
7 | 5MRM | ic50 = 9.3 uM | Q9T | C10 H4 Br2 F3 N O2 | c1c(cc(c(c.... |
8 | 1W77 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | Q9T | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DT7 | 0.9345 |
2 | B21 | 0.9235 |
3 | D9Z | 0.9232 |
4 | MR6 | 0.9224 |
5 | MZR | 0.9192 |
6 | FC2 | 0.9178 |
7 | FBC | 0.9164 |
8 | TJM | 0.9126 |
9 | M83 | 0.9118 |
10 | MR5 | 0.9109 |
11 | G14 | 0.9086 |
12 | B23 | 0.9081 |
13 | 1XS | 0.9080 |
14 | MR4 | 0.9079 |
15 | FHV | 0.9066 |
16 | LOT | 0.9059 |
17 | A5Q | 0.9052 |
18 | ODK | 0.9050 |
19 | DT9 | 0.9022 |
20 | KLV | 0.9018 |
21 | RDT | 0.9010 |
22 | HRM | 0.9010 |
23 | 5AD | 0.9006 |
24 | ZZA | 0.9004 |
25 | 5WK | 0.9003 |
26 | FY8 | 0.8984 |
27 | 4ZF | 0.8975 |
28 | ARJ | 0.8972 |
29 | 57D | 0.8971 |
30 | MUX | 0.8969 |
31 | YE6 | 0.8968 |
32 | 0SY | 0.8966 |
33 | ADN | 0.8964 |
34 | 7FZ | 0.8963 |
35 | 4G2 | 0.8957 |
36 | FCD | 0.8955 |
37 | ZRK | 0.8944 |
38 | 5GV | 0.8943 |
39 | RUG | 0.8941 |
40 | 6H2 | 0.8941 |
41 | 0FR | 0.8938 |
42 | 5E5 | 0.8930 |
43 | 4AU | 0.8921 |
44 | PUE | 0.8920 |
45 | 3JC | 0.8919 |
46 | 2J1 | 0.8918 |
47 | 53X | 0.8917 |
48 | 5B2 | 0.8915 |
49 | 833 | 0.8913 |
50 | M3F | 0.8907 |
51 | IMK | 0.8907 |
52 | 5VU | 0.8906 |
53 | TIZ | 0.8903 |
54 | 3VQ | 0.8897 |
55 | CDY | 0.8896 |
56 | JMG | 0.8896 |
57 | EAT | 0.8895 |
58 | TRP | 0.8892 |
59 | JF8 | 0.8892 |
60 | H7S | 0.8890 |
61 | G30 | 0.8879 |
62 | Q2S | 0.8879 |
63 | AGI | 0.8876 |
64 | LJ5 | 0.8876 |
65 | 5C1 | 0.8876 |
66 | ELH | 0.8874 |
67 | YE7 | 0.8874 |
68 | 5N5 | 0.8871 |
69 | L2K | 0.8869 |
70 | BX4 | 0.8867 |
71 | CWE | 0.8867 |
72 | 5WS | 0.8864 |
73 | 5XL | 0.8860 |
74 | ZRL | 0.8855 |
75 | NE2 | 0.8855 |
76 | 5WT | 0.8855 |
77 | IIH | 0.8854 |
78 | ZHA | 0.8852 |
79 | TIA | 0.8849 |
80 | X2M | 0.8848 |
81 | NW1 | 0.8847 |
82 | GZV | 0.8846 |
83 | 4GU | 0.8843 |
84 | KLE | 0.8842 |
85 | NAR | 0.8842 |
86 | 47V | 0.8838 |
87 | BBY | 0.8838 |
88 | NOC | 0.8836 |
89 | 5TU | 0.8833 |
90 | 26C | 0.8832 |
91 | NOS | 0.8828 |
92 | 0UL | 0.8827 |
93 | G6P | 0.8822 |
94 | 3D8 | 0.8821 |
95 | 2QU | 0.8820 |
96 | CX6 | 0.8817 |
97 | ZIP | 0.8814 |
98 | EQA | 0.8812 |
99 | UN9 | 0.8812 |
100 | H35 | 0.8812 |
101 | 1ER | 0.8810 |
102 | HNT | 0.8809 |
103 | 1ZC | 0.8808 |
104 | DL6 | 0.8806 |
105 | 39Z | 0.8806 |
106 | 22T | 0.8805 |
107 | 4FF | 0.8805 |
108 | LJ4 | 0.8805 |
109 | MHB | 0.8800 |
110 | 3Q0 | 0.8799 |
111 | 8D6 | 0.8799 |
112 | AJ4 | 0.8798 |
113 | 1FL | 0.8798 |
114 | 8M5 | 0.8794 |
115 | AH6 | 0.8794 |
116 | 2WU | 0.8792 |
117 | 2LW | 0.8791 |
118 | LU2 | 0.8791 |
119 | AD3 | 0.8789 |
120 | SQM | 0.8789 |
121 | TCR | 0.8788 |
122 | WV7 | 0.8787 |
123 | 4K2 | 0.8786 |
124 | NK5 | 0.8784 |
125 | LZ5 | 0.8781 |
126 | PRL | 0.8780 |
127 | FLF | 0.8778 |
128 | 1KN | 0.8774 |
129 | S0D | 0.8773 |
130 | ITE | 0.8772 |
131 | PIQ | 0.8772 |
132 | 8CC | 0.8769 |
133 | WA2 | 0.8769 |
134 | M4N | 0.8766 |
135 | 28B | 0.8762 |
136 | 2D2 | 0.8761 |
137 | 72E | 0.8760 |
138 | 6FB | 0.8760 |
139 | XYP XIF | 0.8759 |
140 | HFT | 0.8759 |
141 | XIF XYP | 0.8759 |
142 | 1QV | 0.8759 |
143 | AVX | 0.8759 |
144 | 0DF | 0.8758 |
145 | 78P | 0.8757 |
146 | SU9 | 0.8756 |
147 | 6GP | 0.8756 |
148 | V1T | 0.8755 |
149 | NRA | 0.8754 |
150 | 0K7 | 0.8754 |
151 | YEX | 0.8752 |
152 | Q5M | 0.8752 |
153 | 1AJ | 0.8749 |
154 | 2GQ | 0.8748 |
155 | FNT | 0.8748 |
156 | FZM | 0.8748 |
157 | HA6 | 0.8748 |
158 | BGU | 0.8747 |
159 | E9S | 0.8747 |
160 | 0LA | 0.8745 |
161 | D8Q | 0.8744 |
162 | S98 | 0.8743 |
163 | RA7 | 0.8741 |
164 | C4E | 0.8741 |
165 | WLH | 0.8740 |
166 | 97K | 0.8739 |
167 | A5H | 0.8738 |
168 | 5FD | 0.8737 |
169 | 9JT | 0.8735 |
170 | OAK | 0.8735 |
171 | Y3J | 0.8733 |
172 | KYN | 0.8733 |
173 | HWH | 0.8731 |
174 | 78Y | 0.8730 |
175 | N2M | 0.8730 |
176 | 1DR | 0.8730 |
177 | 5H6 | 0.8729 |
178 | CK2 | 0.8728 |
179 | 92O | 0.8726 |
180 | 7L4 | 0.8724 |
181 | XDN XYP | 0.8724 |
182 | XYP XDN | 0.8724 |
183 | CTE | 0.8724 |
184 | 18E | 0.8722 |
185 | Y3L | 0.8719 |
186 | X0T | 0.8719 |
187 | 6MW | 0.8719 |
188 | AH9 | 0.8719 |
189 | DFL | 0.8716 |
190 | 9CE | 0.8715 |
191 | QIV | 0.8714 |
192 | 28A | 0.8714 |
193 | NIY | 0.8712 |
194 | 5ER | 0.8710 |
195 | Q92 | 0.8710 |
196 | FQX | 0.8709 |
197 | 1A5 | 0.8707 |
198 | VFM | 0.8706 |
199 | 0NX | 0.8706 |
200 | IS2 | 0.8706 |
201 | G1L | 0.8706 |
202 | B1J | 0.8705 |
203 | XEV | 0.8703 |
204 | XYS XYP | 0.8700 |
205 | 795 | 0.8700 |
206 | S8G | 0.8700 |
207 | TH1 | 0.8699 |
208 | 272 | 0.8697 |
209 | THM | 0.8697 |
210 | DAH | 0.8696 |
211 | 5F1 | 0.8695 |
212 | XCG | 0.8694 |
213 | NE1 | 0.8692 |
214 | JFS | 0.8692 |
215 | D2G | 0.8692 |
216 | MBP | 0.8691 |
217 | IA2 | 0.8691 |
218 | IDZ | 0.8690 |
219 | 7EH | 0.8689 |
220 | 2QV | 0.8689 |
221 | CMG | 0.8687 |
222 | MD6 | 0.8686 |
223 | JTK | 0.8686 |
224 | LR2 | 0.8685 |
225 | H4B | 0.8685 |
226 | 4L2 | 0.8685 |
227 | AH3 | 0.8684 |
228 | XYP XYP | 0.8684 |
229 | JCZ | 0.8683 |
230 | 6J5 | 0.8683 |
231 | F40 | 0.8682 |
232 | BG6 | 0.8682 |
233 | A8D | 0.8682 |
234 | NPX | 0.8681 |
235 | 27M | 0.8681 |
236 | SSY | 0.8680 |
237 | PQM | 0.8680 |
238 | KWV | 0.8680 |
239 | J38 | 0.8679 |
240 | P7V | 0.8679 |
241 | ML1 | 0.8678 |
242 | 5S9 | 0.8678 |
243 | PCQ | 0.8677 |
244 | 3D1 | 0.8675 |
245 | O9Q | 0.8675 |
246 | YIP | 0.8674 |
247 | 6ZW | 0.8671 |
248 | B4L | 0.8671 |
249 | 1V8 | 0.8670 |
250 | ZYQ | 0.8670 |
251 | L1T | 0.8668 |
252 | TVC | 0.8665 |
253 | 6T5 | 0.8663 |
254 | 4CN | 0.8662 |
255 | P4L | 0.8661 |
256 | JP2 | 0.8660 |
257 | 38E | 0.8660 |
258 | XYS XYS | 0.8658 |
259 | TMG | 0.8657 |
260 | A4V | 0.8655 |
261 | XDL XYP | 0.8655 |
262 | AQN | 0.8654 |
263 | HBO | 0.8654 |
264 | D1G | 0.8653 |
265 | PLP | 0.8652 |
266 | B2E | 0.8652 |
267 | DUL | 0.8651 |
268 | A9B | 0.8650 |
269 | UN4 | 0.8649 |
270 | KCH | 0.8649 |
271 | AUY | 0.8647 |
272 | VGS | 0.8647 |
273 | 2JX | 0.8643 |
274 | 68B | 0.8642 |
275 | 6TJ | 0.8641 |
276 | QC1 | 0.8639 |
277 | 4GP | 0.8639 |
278 | 363 | 0.8637 |
279 | 37E | 0.8637 |
280 | S60 | 0.8637 |
281 | NFL | 0.8637 |
282 | HBI | 0.8634 |
283 | OSP | 0.8634 |
284 | LR8 | 0.8632 |
285 | 7ZO | 0.8631 |
286 | AUV | 0.8631 |
287 | 7G2 | 0.8631 |
288 | CL9 | 0.8628 |
289 | JVD | 0.8626 |
290 | 2PK | 0.8625 |
291 | ZME | 0.8625 |
292 | NPS | 0.8625 |
293 | 5GT | 0.8623 |
294 | NTF | 0.8623 |
295 | LUM | 0.8622 |
296 | 7O4 | 0.8622 |
297 | 5F8 | 0.8619 |
298 | I2E | 0.8616 |
299 | CNI | 0.8616 |
300 | GNG | 0.8615 |
301 | EV2 | 0.8613 |
302 | D25 | 0.8613 |
303 | 4V2 | 0.8612 |
304 | 6DH | 0.8612 |
305 | 5TY | 0.8611 |
306 | FYR | 0.8610 |
307 | 3XH | 0.8610 |
308 | LJ3 | 0.8609 |
309 | QKU | 0.8607 |
310 | NDD | 0.8604 |
311 | JWS | 0.8603 |
312 | K7H | 0.8603 |
313 | PRH | 0.8601 |
314 | L3L | 0.8601 |
315 | NAL | 0.8598 |
316 | 6EN | 0.8597 |
317 | MTA | 0.8596 |
318 | JAH | 0.8596 |
319 | BIO | 0.8596 |
320 | E6Q | 0.8595 |
321 | NU3 | 0.8595 |
322 | HRD | 0.8594 |
323 | CHQ | 0.8592 |
324 | 72D | 0.8590 |
325 | H2B | 0.8589 |
326 | RHN | 0.8587 |
327 | EST | 0.8586 |
328 | ERZ | 0.8585 |
329 | 68C | 0.8582 |
330 | EAE | 0.8581 |
331 | JGB | 0.8579 |
332 | 5CJ | 0.8578 |
333 | FF2 | 0.8578 |
334 | NEU | 0.8577 |
335 | HHS | 0.8576 |
336 | Q4G | 0.8574 |
337 | 3AD | 0.8572 |
338 | KWB | 0.8572 |
339 | XI7 | 0.8571 |
340 | IK1 | 0.8571 |
341 | DCF | 0.8564 |
342 | IKY | 0.8563 |
343 | EMU | 0.8562 |
344 | PJK | 0.8561 |
345 | 72G | 0.8560 |
346 | 3VX | 0.8560 |
347 | AXX | 0.8557 |
348 | BMC | 0.8556 |
349 | T1N | 0.8552 |
350 | 2P3 | 0.8550 |
351 | LI7 | 0.8548 |
352 | HPR | 0.8541 |
353 | RSV | 0.8537 |
354 | S62 | 0.8535 |
355 | 5WN | 0.8533 |
356 | 6DQ | 0.8526 |
357 | ET0 | 0.8518 |
358 | 774 | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 2yc5.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2yc5.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |