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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 337 families. | |||||
1 | 5AG3 | - | 3EB | C10 H10 O4 | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 225 families. | |||||
1 | 5AG3 | - | 3EB | C10 H10 O4 | c1cc(cc(c1.... |
2 | 4BPS | Ki = 1.02 mM | 3EB | C10 H10 O4 | c1cc(cc(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IOP | 0.9639 |
2 | DTR | 0.9528 |
3 | 14W | 0.9504 |
4 | RCV | 0.9499 |
5 | XEN | 0.9486 |
6 | VM1 | 0.9458 |
7 | HLP | 0.9447 |
8 | TRP | 0.9446 |
9 | RK4 | 0.9443 |
10 | 9BF | 0.9442 |
11 | 5WN | 0.9386 |
12 | ZIP | 0.9375 |
13 | 4Z9 | 0.9359 |
14 | SBK | 0.9352 |
15 | RVE | 0.9343 |
16 | 8XL | 0.9322 |
17 | AVA | 0.9318 |
18 | IAC | 0.9305 |
19 | MNP | 0.9300 |
20 | SQV | 0.9285 |
21 | P80 | 0.9281 |
22 | ISJ | 0.9281 |
23 | AMR | 0.9277 |
24 | EYY | 0.9276 |
25 | F52 | 0.9271 |
26 | NIY | 0.9269 |
27 | NFZ | 0.9263 |
28 | I2E | 0.9261 |
29 | H35 | 0.9259 |
30 | 4OG | 0.9255 |
31 | NAL | 0.9254 |
32 | ZEZ | 0.9250 |
33 | 3IL | 0.9240 |
34 | M3Q | 0.9235 |
35 | 2UD | 0.9232 |
36 | 3IB | 0.9213 |
37 | MQB | 0.9211 |
38 | ZEA | 0.9209 |
39 | ITW | 0.9195 |
40 | ET0 | 0.9193 |
41 | IOS | 0.9191 |
42 | 0FR | 0.9186 |
43 | DHC | 0.9179 |
44 | SRO | 0.9168 |
45 | SYE | 0.9164 |
46 | NVU | 0.9163 |
47 | 108 | 0.9160 |
48 | FT6 | 0.9156 |
49 | VJJ | 0.9151 |
50 | NLA | 0.9150 |
51 | 96Z | 0.9145 |
52 | CX4 | 0.9138 |
53 | EXR | 0.9137 |
54 | ZON | 0.9130 |
55 | 2KU | 0.9122 |
56 | 9F8 | 0.9117 |
57 | RD4 | 0.9113 |
58 | BSA | 0.9111 |
59 | 3SU | 0.9106 |
60 | P93 | 0.9105 |
61 | EUH | 0.9102 |
62 | C4E | 0.9102 |
63 | FPL | 0.9095 |
64 | Q5M | 0.9092 |
65 | AZY | 0.9090 |
66 | 39Z | 0.9089 |
67 | 531 | 0.9089 |
68 | TSR | 0.9085 |
69 | NPA | 0.9084 |
70 | CSN | 0.9082 |
71 | 8RK | 0.9081 |
72 | CH8 | 0.9075 |
73 | ALN | 0.9074 |
74 | EXG | 0.9071 |
75 | S8D | 0.9065 |
76 | HWH | 0.9058 |
77 | TCR | 0.9055 |
78 | ASE | 0.9054 |
79 | EXL | 0.9048 |
80 | EV3 | 0.9032 |
81 | 55D | 0.9031 |
82 | MJ5 | 0.9030 |
83 | FWB | 0.9026 |
84 | BB4 | 0.9023 |
85 | 3D8 | 0.9023 |
86 | 28S | 0.9021 |
87 | 5O5 | 0.9018 |
88 | GHQ | 0.9015 |
89 | LTN | 0.9014 |
90 | B41 | 0.9012 |
91 | 5TO | 0.9008 |
92 | YIH | 0.9008 |
93 | TZM | 0.9005 |
94 | 2SX | 0.9001 |
95 | EYA | 0.9000 |
96 | WA2 | 0.8999 |
97 | TR7 | 0.8988 |
98 | HA6 | 0.8987 |
99 | 2FX | 0.8986 |
100 | 6C9 | 0.8983 |
101 | 4A5 | 0.8981 |
102 | 7ZC | 0.8978 |
103 | 6FG | 0.8975 |
104 | 4AV | 0.8972 |
105 | R9G | 0.8972 |
106 | GO8 | 0.8968 |
107 | 0GA | 0.8968 |
108 | EYJ | 0.8966 |
109 | JHY | 0.8966 |
110 | AC2 | 0.8963 |
111 | EYM | 0.8954 |
112 | S7G | 0.8951 |
113 | 3NM | 0.8949 |
114 | 263 | 0.8947 |
115 | H7Y | 0.8942 |
116 | BL0 | 0.8941 |
117 | PQZ | 0.8940 |
118 | CTE | 0.8940 |
119 | EOL | 0.8938 |
120 | MP5 | 0.8936 |
121 | 6C5 | 0.8934 |
122 | CFA | 0.8932 |
123 | 535 | 0.8929 |
124 | 0LH | 0.8928 |
125 | 4BX | 0.8927 |
126 | YIP | 0.8927 |
127 | GNW | 0.8927 |
128 | D1G | 0.8926 |
129 | L21 | 0.8926 |
130 | 657 | 0.8925 |
131 | OHJ | 0.8922 |
132 | 7MX | 0.8921 |
133 | B5A | 0.8918 |
134 | EVO | 0.8917 |
135 | 4NS | 0.8915 |
136 | 3D3 | 0.8912 |
137 | AVO | 0.8904 |
138 | MMS | 0.8900 |
139 | FCW | 0.8898 |
140 | ISC | 0.8898 |
141 | 1ZC | 0.8898 |
142 | 6N4 | 0.8896 |
143 | G6P | 0.8896 |
144 | TSS | 0.8887 |
145 | I59 | 0.8885 |
146 | HHV | 0.8882 |
147 | 6HO | 0.8880 |
148 | 8YH | 0.8879 |
149 | FNA | 0.8878 |
150 | M5H | 0.8877 |
151 | PPN | 0.8876 |
152 | JF5 | 0.8873 |
153 | NWD | 0.8867 |
154 | KYN | 0.8866 |
155 | 9VQ | 0.8863 |
156 | EV2 | 0.8859 |
157 | M78 | 0.8858 |
158 | ATX | 0.8857 |
159 | 6C4 | 0.8853 |
160 | KWB | 0.8849 |
161 | 61M | 0.8847 |
162 | 6Q3 | 0.8847 |
163 | MS0 | 0.8845 |
164 | J4K | 0.8840 |
165 | S8P | 0.8838 |
166 | L12 | 0.8838 |
167 | XQI | 0.8834 |
168 | EMU | 0.8834 |
169 | MPP | 0.8834 |
170 | MYI | 0.8832 |
171 | NK5 | 0.8831 |
172 | OW7 | 0.8831 |
173 | 78U | 0.8827 |
174 | TMG | 0.8827 |
175 | HNT | 0.8824 |
176 | 1AJ | 0.8823 |
177 | DTY | 0.8820 |
178 | ZIQ | 0.8819 |
179 | 5ER | 0.8818 |
180 | N1E | 0.8818 |
181 | 9X3 | 0.8816 |
182 | 27K | 0.8815 |
183 | DAH | 0.8813 |
184 | X6P | 0.8813 |
185 | BQ2 | 0.8812 |
186 | DTE | 0.8812 |
187 | MBP | 0.8811 |
188 | OMD | 0.8810 |
189 | ML1 | 0.8808 |
190 | 6J9 | 0.8808 |
191 | 8EU | 0.8807 |
192 | HBI | 0.8806 |
193 | 1Q4 | 0.8805 |
194 | D8Q | 0.8803 |
195 | N4E | 0.8802 |
196 | FUZ | 0.8802 |
197 | QLI | 0.8801 |
198 | 1QP | 0.8801 |
199 | YTX | 0.8798 |
200 | 536 | 0.8797 |
201 | DI6 | 0.8795 |
202 | X2M | 0.8795 |
203 | C9E | 0.8795 |
204 | 4RG | 0.8794 |
205 | M5E | 0.8793 |
206 | NFM | 0.8791 |
207 | 0OM | 0.8787 |
208 | TXW | 0.8785 |
209 | 2UZ | 0.8782 |
210 | AAN | 0.8781 |
211 | YOF | 0.8779 |
212 | MGB | 0.8779 |
213 | 4CF | 0.8778 |
214 | 6XC | 0.8776 |
215 | 36M | 0.8773 |
216 | IYR | 0.8772 |
217 | 5WM | 0.8768 |
218 | TIA | 0.8767 |
219 | ZZ2 | 0.8765 |
220 | 5DS | 0.8764 |
221 | 7BX | 0.8764 |
222 | K82 | 0.8764 |
223 | QMS | 0.8759 |
224 | YF3 | 0.8759 |
225 | 9W5 | 0.8758 |
226 | 3C4 | 0.8756 |
227 | 5RP | 0.8753 |
228 | PJL | 0.8753 |
229 | 9UL | 0.8749 |
230 | G1P | 0.8749 |
231 | CUT | 0.8749 |
232 | AHL | 0.8749 |
233 | OOG | 0.8747 |
234 | 327 | 0.8745 |
235 | IQU | 0.8744 |
236 | EYV | 0.8743 |
237 | JYK | 0.8743 |
238 | IM4 | 0.8741 |
239 | 7MW | 0.8741 |
240 | BZM | 0.8741 |
241 | 4NP | 0.8739 |
242 | 60L | 0.8737 |
243 | 159 | 0.8736 |
244 | QTV | 0.8734 |
245 | STV | 0.8731 |
246 | IPE | 0.8730 |
247 | EQA | 0.8729 |
248 | 3AK | 0.8724 |
249 | AZM | 0.8721 |
250 | DHY | 0.8721 |
251 | BG6 | 0.8720 |
252 | EY7 | 0.8718 |
253 | A98 | 0.8712 |
254 | TYR | 0.8711 |
255 | 3VW | 0.8710 |
256 | 6NZ | 0.8709 |
257 | CC5 | 0.8696 |
258 | 5VU | 0.8690 |
259 | Z25 | 0.8690 |
260 | PAU | 0.8689 |
261 | ALE | 0.8687 |
262 | 5SP | 0.8687 |
263 | RDV | 0.8687 |
264 | D2G | 0.8686 |
265 | E9P | 0.8682 |
266 | M28 | 0.8682 |
267 | ALA DGL | 0.8681 |
268 | A7H | 0.8680 |
269 | DMA | 0.8678 |
270 | 4I8 | 0.8676 |
271 | 4MB | 0.8675 |
272 | FWD | 0.8672 |
273 | S24 | 0.8672 |
274 | BZQ | 0.8671 |
275 | 7ZL | 0.8665 |
276 | PMM | 0.8665 |
277 | BIO | 0.8661 |
278 | ENW | 0.8659 |
279 | JXK | 0.8657 |
280 | JYW | 0.8655 |
281 | JA3 | 0.8655 |
282 | PW1 | 0.8653 |
283 | HJB | 0.8651 |
284 | HQ9 | 0.8649 |
285 | 7AP | 0.8645 |
286 | ABF | 0.8644 |
287 | EGR | 0.8644 |
288 | PLR | 0.8642 |
289 | NPX | 0.8641 |
290 | JY2 | 0.8640 |
291 | 3HP | 0.8638 |
292 | AEH | 0.8637 |
293 | 6DP | 0.8629 |
294 | DE7 | 0.8627 |
295 | C2Y | 0.8627 |
296 | 4XY | 0.8624 |
297 | R7T | 0.8624 |
298 | M9K | 0.8622 |
299 | 92P | 0.8620 |
300 | PTR | 0.8618 |
301 | YI6 | 0.8615 |
302 | EZ1 | 0.8614 |
303 | BXS | 0.8609 |
304 | 4R1 | 0.8608 |
305 | PA5 | 0.8607 |
306 | 2UB | 0.8601 |
307 | SZA | 0.8600 |
308 | AEY | 0.8599 |
309 | R1P | 0.8595 |
310 | JXQ | 0.8594 |
311 | RES | 0.8594 |
312 | DX5 | 0.8588 |
313 | ALA ZGL | 0.8586 |
314 | 3B4 | 0.8584 |
315 | GRQ | 0.8577 |
316 | 8U3 | 0.8572 |
317 | PRO GLY | 0.8568 |
318 | E35 | 0.8567 |
319 | 1H1 | 0.8565 |
320 | GNR | 0.8563 |
321 | F63 | 0.8559 |
322 | DG2 | 0.8556 |
323 | PZX | 0.8550 |
324 | 6L6 | 0.8549 |
325 | REL | 0.8544 |
326 | BC3 | 0.8538 |
327 | TYE | 0.8531 |
328 | 69K | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 5ag3.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ag3.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |