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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 1331 families. | |||||
1 | 2X67 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
2 | 2V7K | - | DTR | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 2V7M | - | DTE | C11 H11 Cl N2 O2 | c1cc2c(c[n.... |
4 | 2V7L | - | CTE | C11 H11 Cl N2 O2 | c1cc2c(c[n.... |
5 | 2X68 | Ka = 21000 M^-1 | CTE | C11 H11 Cl N2 O2 | c1cc2c(c[n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 2X67 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
2 | 2V7K | - | DTR | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 2V7M | - | DTE | C11 H11 Cl N2 O2 | c1cc2c(c[n.... |
4 | 2V7L | - | CTE | C11 H11 Cl N2 O2 | c1cc2c(c[n.... |
5 | 2X68 | Ka = 21000 M^-1 | CTE | C11 H11 Cl N2 O2 | c1cc2c(c[n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ITW | 0.9506 |
2 | ZIQ | 0.9497 |
3 | EXR | 0.9460 |
4 | IOP | 0.9451 |
5 | 4Z9 | 0.9434 |
6 | CC5 | 0.9405 |
7 | 96Z | 0.9391 |
8 | APS | 0.9388 |
9 | 5AD | 0.9386 |
10 | B5A | 0.9374 |
11 | 9BF | 0.9356 |
12 | NAL | 0.9355 |
13 | KF5 | 0.9351 |
14 | KYN | 0.9338 |
15 | 3L1 | 0.9334 |
16 | MMS | 0.9331 |
17 | 3IL | 0.9321 |
18 | JY2 | 0.9312 |
19 | NIY | 0.9310 |
20 | AC2 | 0.9288 |
21 | ARP | 0.9271 |
22 | IOS | 0.9265 |
23 | JYW | 0.9252 |
24 | 4OG | 0.9249 |
25 | LTN | 0.9210 |
26 | 8Y7 | 0.9207 |
27 | 92O | 0.9201 |
28 | JYT | 0.9195 |
29 | CG | 0.9187 |
30 | 3SU | 0.9183 |
31 | 78U | 0.9182 |
32 | JXK | 0.9173 |
33 | ALN | 0.9171 |
34 | RVE | 0.9170 |
35 | DAH | 0.9168 |
36 | YOF | 0.9167 |
37 | BC3 | 0.9162 |
38 | L21 | 0.9156 |
39 | 3IB | 0.9152 |
40 | SYE | 0.9152 |
41 | DHC | 0.9150 |
42 | FWD | 0.9150 |
43 | I2E | 0.9148 |
44 | ZON | 0.9148 |
45 | EYY | 0.9142 |
46 | MPP | 0.9138 |
47 | PE2 | 0.9137 |
48 | IAC | 0.9132 |
49 | 5F1 | 0.9111 |
50 | 3AD | 0.9105 |
51 | JXT | 0.9101 |
52 | ADN | 0.9100 |
53 | M3Q | 0.9100 |
54 | 5WN | 0.9100 |
55 | ZIP | 0.9099 |
56 | TSR | 0.9099 |
57 | 8XL | 0.9095 |
58 | ENO | 0.9095 |
59 | HBI | 0.9093 |
60 | G6P | 0.9090 |
61 | 2UD | 0.9083 |
62 | CDY | 0.9083 |
63 | H7S | 0.9082 |
64 | BB4 | 0.9082 |
65 | CWD | 0.9080 |
66 | TR7 | 0.9078 |
67 | 3D1 | 0.9077 |
68 | 4WF | 0.9077 |
69 | NVU | 0.9076 |
70 | EXL | 0.9075 |
71 | MQB | 0.9074 |
72 | 3Y7 | 0.9073 |
73 | H4B | 0.9070 |
74 | 5JT | 0.9066 |
75 | JYK | 0.9064 |
76 | 3D3 | 0.9063 |
77 | MDR | 0.9060 |
78 | QH3 | 0.9058 |
79 | AZY | 0.9056 |
80 | PLP | 0.9054 |
81 | DCF | 0.9052 |
82 | MPU | 0.9049 |
83 | RCM | 0.9049 |
84 | 2FD | 0.9044 |
85 | IYR | 0.9043 |
86 | 6C9 | 0.9043 |
87 | M02 | 0.9041 |
88 | GNG | 0.9040 |
89 | CL9 | 0.9036 |
90 | X04 | 0.9035 |
91 | 9F8 | 0.9035 |
92 | CGW | 0.9016 |
93 | 2KU | 0.9015 |
94 | S8G | 0.9012 |
95 | PMP | 0.9003 |
96 | BWD | 0.8998 |
97 | 4BX | 0.8997 |
98 | NOS | 0.8995 |
99 | CPW | 0.8993 |
100 | DEW | 0.8987 |
101 | 88R | 0.8978 |
102 | TYR | 0.8975 |
103 | B86 | 0.8974 |
104 | XYA | 0.8972 |
105 | ASE | 0.8971 |
106 | 7D7 | 0.8967 |
107 | GZV | 0.8964 |
108 | 7PJ | 0.8963 |
109 | A4V | 0.8960 |
110 | 2LT | 0.8959 |
111 | AX5 | 0.8957 |
112 | Q5M | 0.8953 |
113 | 6HP | 0.8952 |
114 | IWD | 0.8951 |
115 | BG6 | 0.8949 |
116 | B41 | 0.8947 |
117 | PLR | 0.8947 |
118 | BIO | 0.8947 |
119 | A | 0.8946 |
120 | F5C | 0.8944 |
121 | 5CD | 0.8938 |
122 | THM | 0.8937 |
123 | 5FD | 0.8937 |
124 | KWB | 0.8936 |
125 | PMM | 0.8936 |
126 | 0DN | 0.8936 |
127 | NPA | 0.8935 |
128 | 9UL | 0.8931 |
129 | ARJ | 0.8928 |
130 | 8DA | 0.8928 |
131 | ZEA | 0.8927 |
132 | 1DA | 0.8927 |
133 | 6J9 | 0.8926 |
134 | HWH | 0.8925 |
135 | NWD | 0.8923 |
136 | MCY | 0.8921 |
137 | QMR | 0.8920 |
138 | RE4 | 0.8920 |
139 | TRF | 0.8920 |
140 | M6D | 0.8918 |
141 | GO8 | 0.8916 |
142 | TBN | 0.8915 |
143 | 6HO | 0.8913 |
144 | EYV | 0.8913 |
145 | JXZ | 0.8912 |
146 | HWD | 0.8907 |
147 | GMP | 0.8903 |
148 | EXG | 0.8902 |
149 | 2JX | 0.8900 |
150 | QMS | 0.8900 |
151 | BQ2 | 0.8900 |
152 | 5WU | 0.8892 |
153 | 2FA | 0.8892 |
154 | CHQ | 0.8890 |
155 | DHY | 0.8890 |
156 | 3DT | 0.8889 |
157 | CCV | 0.8888 |
158 | 8U3 | 0.8887 |
159 | 5BT | 0.8883 |
160 | 7PS | 0.8883 |
161 | XEN | 0.8880 |
162 | H2B | 0.8876 |
163 | AD3 | 0.8875 |
164 | 3LJ | 0.8875 |
165 | 8HG | 0.8872 |
166 | 2SX | 0.8871 |
167 | 6FG | 0.8869 |
168 | CFE | 0.8868 |
169 | 0GA | 0.8868 |
170 | EYJ | 0.8867 |
171 | E9S | 0.8866 |
172 | OUB | 0.8864 |
173 | PVK | 0.8864 |
174 | 0FR | 0.8863 |
175 | 4BF | 0.8862 |
176 | LLT | 0.8861 |
177 | JXQ | 0.8860 |
178 | EV3 | 0.8860 |
179 | NOC | 0.8856 |
180 | PVQ | 0.8854 |
181 | MNP | 0.8854 |
182 | NFZ | 0.8853 |
183 | 4AF | 0.8852 |
184 | G1P | 0.8849 |
185 | 0A1 | 0.8845 |
186 | I59 | 0.8844 |
187 | YTX | 0.8843 |
188 | 4AB | 0.8841 |
189 | NLA | 0.8840 |
190 | DTY | 0.8839 |
191 | DDU | 0.8833 |
192 | 0XR | 0.8833 |
193 | PRH | 0.8831 |
194 | HPR | 0.8831 |
195 | 790 | 0.8829 |
196 | 7AP | 0.8826 |
197 | 4R1 | 0.8825 |
198 | ZEZ | 0.8823 |
199 | V15 | 0.8823 |
200 | PXP | 0.8819 |
201 | M5H | 0.8814 |
202 | CX4 | 0.8813 |
203 | 3EB | 0.8812 |
204 | 57O | 0.8810 |
205 | PYU | 0.8808 |
206 | ID2 | 0.8807 |
207 | NEO | 0.8806 |
208 | MP5 | 0.8800 |
209 | CMU | 0.8799 |
210 | TYC | 0.8796 |
211 | EYA | 0.8792 |
212 | DCZ | 0.8791 |
213 | LIP | 0.8791 |
214 | 3N1 | 0.8790 |
215 | NEU | 0.8789 |
216 | JA3 | 0.8786 |
217 | FMC | 0.8785 |
218 | PUR | 0.8785 |
219 | 2DL | 0.8785 |
220 | TSS | 0.8784 |
221 | FMB | 0.8784 |
222 | DUR | 0.8784 |
223 | LDC | 0.8783 |
224 | IMH | 0.8782 |
225 | LSQ | 0.8782 |
226 | UA2 | 0.8782 |
227 | A4D | 0.8781 |
228 | 0J5 | 0.8781 |
229 | EYM | 0.8780 |
230 | 67Y | 0.8780 |
231 | DE7 | 0.8779 |
232 | 0LH | 0.8777 |
233 | 8RK | 0.8777 |
234 | GNR | 0.8775 |
235 | GLP | 0.8773 |
236 | 5ER | 0.8772 |
237 | EN1 | 0.8772 |
238 | 5N5 | 0.8770 |
239 | NIP | 0.8768 |
240 | 5MD | 0.8768 |
241 | 3G3 | 0.8767 |
242 | JHY | 0.8766 |
243 | 6L6 | 0.8765 |
244 | 5I5 | 0.8764 |
245 | PF1 | 0.8764 |
246 | SY4 | 0.8763 |
247 | M9K | 0.8760 |
248 | BGP | 0.8760 |
249 | JGY | 0.8755 |
250 | 6DP | 0.8753 |
251 | 8OX | 0.8753 |
252 | 9DI | 0.8749 |
253 | PFF | 0.8749 |
254 | SRO | 0.8748 |
255 | 0JD | 0.8748 |
256 | NCV | 0.8743 |
257 | 3C4 | 0.8741 |
258 | JZA | 0.8738 |
259 | B61 | 0.8736 |
260 | 5ID | 0.8733 |
261 | 0J4 | 0.8729 |
262 | SBK | 0.8729 |
263 | 6N4 | 0.8727 |
264 | 9E3 | 0.8725 |
265 | QIF | 0.8724 |
266 | X0T | 0.8723 |
267 | YIH | 0.8722 |
268 | NBB | 0.8721 |
269 | ML1 | 0.8721 |
270 | FCW | 0.8718 |
271 | YF3 | 0.8717 |
272 | P80 | 0.8716 |
273 | R9J | 0.8714 |
274 | CLU | 0.8713 |
275 | 5UD | 0.8712 |
276 | PZP | 0.8710 |
277 | 61M | 0.8709 |
278 | GC2 | 0.8709 |
279 | 4B0 | 0.8709 |
280 | 6MW | 0.8708 |
281 | S8P | 0.8708 |
282 | ISA | 0.8706 |
283 | OA1 | 0.8701 |
284 | 51Y | 0.8700 |
285 | THU | 0.8699 |
286 | F01 | 0.8699 |
287 | CG8 | 0.8698 |
288 | 2C2 | 0.8697 |
289 | 0QV | 0.8695 |
290 | SLY | 0.8692 |
291 | XDE | 0.8689 |
292 | 6Q3 | 0.8687 |
293 | WA2 | 0.8686 |
294 | ZYC | 0.8684 |
295 | HPT | 0.8683 |
296 | 39Z | 0.8683 |
297 | XFE | 0.8683 |
298 | LTT | 0.8683 |
299 | 7FF | 0.8682 |
300 | NQH | 0.8681 |
301 | 69K | 0.8681 |
302 | FUZ | 0.8680 |
303 | IBM | 0.8679 |
304 | ET0 | 0.8678 |
305 | 5O5 | 0.8677 |
306 | CTN | 0.8672 |
307 | PPT | 0.8672 |
308 | BSA | 0.8671 |
309 | HA5 | 0.8671 |
310 | 4UO | 0.8668 |
311 | 30G | 0.8668 |
312 | RAB | 0.8667 |
313 | P7Y | 0.8667 |
314 | FM1 | 0.8662 |
315 | 5OF | 0.8662 |
316 | RVD | 0.8659 |
317 | R4E | 0.8657 |
318 | 2UB | 0.8657 |
319 | JV4 | 0.8656 |
320 | FHC | 0.8656 |
321 | PQT | 0.8654 |
322 | CFA | 0.8652 |
323 | EKH | 0.8652 |
324 | FSU | 0.8647 |
325 | MTP | 0.8647 |
326 | TYE | 0.8646 |
327 | TZM | 0.8646 |
328 | YIP | 0.8644 |
329 | HFA | 0.8644 |
330 | Z25 | 0.8642 |
331 | MTA | 0.8639 |
332 | 3JL | 0.8638 |
333 | K68 | 0.8634 |
334 | HLP | 0.8633 |
335 | OMD | 0.8630 |
336 | VYM | 0.8628 |
337 | D6G | 0.8623 |
338 | AHC | 0.8623 |
339 | XQI | 0.8623 |
340 | C9E | 0.8622 |
341 | TAL | 0.8622 |
342 | FTU | 0.8621 |
343 | DBM | 0.8620 |
344 | E7R | 0.8615 |
345 | MQG | 0.8614 |
346 | 5AE | 0.8614 |
347 | 7MX | 0.8608 |
348 | URI | 0.8607 |
349 | NK5 | 0.8607 |
350 | 7ZC | 0.8606 |
351 | Y4L | 0.8605 |
352 | PPN | 0.8604 |
353 | H4E | 0.8602 |
354 | KWQ | 0.8600 |
355 | LGT | 0.8600 |
356 | 9KH | 0.8599 |
357 | HPP | 0.8589 |
358 | MYI | 0.8588 |
359 | E0O | 0.8588 |
360 | 2HC | 0.8581 |
361 | X1P | 0.8580 |
362 | 36M | 0.8580 |
363 | 3BH | 0.8580 |
364 | 78P | 0.8578 |
365 | W8G | 0.8575 |
366 | H7Y | 0.8572 |
367 | BL0 | 0.8570 |
368 | 26A | 0.8568 |
369 | MS0 | 0.8568 |
370 | NFM | 0.8557 |
371 | API | 0.8555 |
372 | F90 | 0.8552 |
373 | LVD | 0.8551 |
374 | PHI | 0.8550 |
375 | FXH | 0.8541 |
376 | ALX | 0.8540 |
377 | LLG | 0.8537 |
378 | IBC | 0.8536 |
379 | QUS | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 2x68.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |