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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 | 6IOU | Kd = 18.3 uM | SER | C3 H7 N O3 | C([C@@H](C.... |
2 | 6IOQ | Kd = 9 uM | GLY | C2 H5 N O2 | C(C(=O)O)N |
3 | 6IOS | Kd = 23.8 uM | PRO | C5 H9 N O2 | C1C[C@H](N.... |
4 | 6IOP | Kd = 5.1 uM | ALA | C3 H7 N O2 | C[C@@H](C(.... |
5 | 6IOR | Kd = 6.3 uM | ASN | C4 H8 N2 O3 | C([C@@H](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 5AVF | Kd = 3.2 uM | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
2 | 5AVE | Kd = 3.6 uM | SER | C3 H7 N O3 | C([C@@H](C.... |
3 | 6IOU | Kd = 18.3 uM | SER | C3 H7 N O3 | C([C@@H](C.... |
4 | 6IOQ | Kd = 9 uM | GLY | C2 H5 N O2 | C(C(=O)O)N |
5 | 6IOS | Kd = 23.8 uM | PRO | C5 H9 N O2 | C1C[C@H](N.... |
6 | 6IOP | Kd = 5.1 uM | ALA | C3 H7 N O2 | C[C@@H](C(.... |
7 | 6IOR | Kd = 6.3 uM | ASN | C4 H8 N2 O3 | C([C@@H](C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DAL | 1 | 1 |
2 | ALA | 1 | 1 |
3 | VAL | 0.611111 | 0.882353 |
4 | ALO | 0.578947 | 0.789474 |
5 | THR | 0.578947 | 0.789474 |
6 | HGY | 0.5625 | 0.666667 |
7 | DBB | 0.526316 | 0.75 |
8 | AKB | 0.526316 | 0.75 |
9 | ABA | 0.526316 | 0.75 |
10 | SKG | 0.52381 | 0.833333 |
11 | ILE | 0.5 | 0.714286 |
12 | LEU | 0.5 | 0.681818 |
13 | NVA | 0.434783 | 0.652174 |
14 | VAH | 0.434783 | 0.6 |
15 | FLA | 0.428571 | 0.636364 |
16 | C2N | 0.428571 | 0.636364 |
17 | CYS | 0.428571 | 0.608696 |
18 | DCY | 0.428571 | 0.608696 |
19 | HL5 | 0.407407 | 0.6 |
20 | SKJ | 0.407407 | 0.652174 |
21 | I2M | 0.4 | 0.6 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NHY | 1.0000 |
2 | FAH | 1.0000 |
3 | NIE | 1.0000 |
4 | F50 | 1.0000 |
5 | F3V | 1.0000 |
6 | GLV | 1.0000 |
7 | GOA | 1.0000 |
8 | HVB | 1.0000 |
9 | AGU | 1.0000 |
10 | HAE | 1.0000 |
11 | 61G | 1.0000 |
12 | 5Y9 | 1.0000 |
13 | OXD | 1.0000 |
14 | 2OP | 1.0000 |
15 | LAC | 1.0000 |
16 | ALQ | 1.0000 |
17 | NIS | 1.0000 |
18 | BUO | 1.0000 |
19 | OXM | 1.0000 |
20 | HBS | 1.0000 |
21 | PYR | 1.0000 |
22 | NAK | 1.0000 |
23 | OXL | 1.0000 |
24 | PYM | 1.0000 |
25 | NMU | 0.9999 |
26 | PPI | 0.9988 |
27 | AKR | 0.9988 |
28 | MGX | 0.9987 |
29 | HBR | 0.9971 |
30 | TSZ | 0.9969 |
31 | BRP | 0.9967 |
32 | GLY | 0.9954 |
33 | ATO | 0.9932 |
34 | 2A1 | 0.9902 |
35 | TCV | 0.9855 |
36 | 2A3 | 0.9849 |
37 | TF4 | 0.9849 |
38 | SER | 0.9831 |
39 | HUI | 0.9743 |
40 | DE2 | 0.9740 |
41 | 1AC | 0.9716 |
42 | SMB | 0.9699 |
43 | AOA | 0.9696 |
44 | HIU | 0.9674 |
45 | 39J | 0.9665 |
46 | MB3 | 0.9650 |
47 | 03W | 0.9647 |
48 | DGY | 0.9647 |
49 | KG7 | 0.9633 |
50 | 3PY | 0.9632 |
51 | DXX | 0.9625 |
52 | R3W | 0.9620 |
53 | SEY | 0.9620 |
54 | ACM | 0.9588 |
55 | BUA | 0.9587 |
56 | BAL | 0.9585 |
57 | ALF | 0.9585 |
58 | TAY | 0.9576 |
59 | DMI | 0.9574 |
60 | 3MT | 0.9570 |
61 | 2KT | 0.9570 |
62 | BMD | 0.9568 |
63 | SAR | 0.9560 |
64 | GXV | 0.9551 |
65 | GOL | 0.9551 |
66 | 4AX | 0.9549 |
67 | 3OH | 0.9545 |
68 | 2RA | 0.9544 |
69 | CP2 | 0.9543 |
70 | 3GR | 0.9543 |
71 | MLI | 0.9539 |
72 | 3ZS | 0.9535 |
73 | 1BP | 0.9529 |
74 | AF3 | 0.9525 |
75 | PPF | 0.9522 |
76 | PXO | 0.9522 |
77 | BAQ | 0.9521 |
78 | MEU | 0.9516 |
79 | DSN | 0.9510 |
80 | HSL | 0.9508 |
81 | ACT | 0.9500 |
82 | MMZ | 0.9500 |
83 | A3B | 0.9494 |
84 | B20 | 0.9492 |
85 | 1MZ | 0.9488 |
86 | 0PY | 0.9481 |
87 | DMG | 0.9480 |
88 | DTI | 0.9480 |
89 | 9A4 | 0.9476 |
90 | BNZ | 0.9475 |
91 | HOW | 0.9473 |
92 | 2AI | 0.9471 |
93 | 3TR | 0.9471 |
94 | 2HA | 0.9471 |
95 | BUQ | 0.9466 |
96 | MR3 | 0.9461 |
97 | ETF | 0.9458 |
98 | 4MZ | 0.9447 |
99 | BU4 | 0.9446 |
100 | AMT | 0.9444 |
101 | P1R | 0.9443 |
102 | KCS | 0.9440 |
103 | MMU | 0.9440 |
104 | 6SP | 0.9433 |
105 | PHZ | 0.9432 |
106 | 2MZ | 0.9427 |
107 | GBL | 0.9425 |
108 | EGD | 0.9422 |
109 | ATQ | 0.9421 |
110 | XAP | 0.9418 |
111 | HLT | 0.9415 |
112 | BEF | 0.9410 |
113 | 5MP | 0.9409 |
114 | KSW | 0.9404 |
115 | BXA | 0.9400 |
116 | IVA | 0.9398 |
117 | J3K | 0.9398 |
118 | BUB | 0.9386 |
119 | NOE | 0.9384 |
120 | 1CB | 0.9384 |
121 | MZY | 0.9378 |
122 | MLA | 0.9370 |
123 | JZ6 | 0.9364 |
124 | IPH | 0.9362 |
125 | 7EX | 0.9352 |
126 | 3BB | 0.9342 |
127 | EDO | 0.9341 |
128 | 78T | 0.9338 |
129 | AXO | 0.9337 |
130 | IPA | 0.9329 |
131 | PZO | 0.9323 |
132 | 5KX | 0.9323 |
133 | 3HR | 0.9322 |
134 | 9PO | 0.9314 |
135 | 2PO | 0.9310 |
136 | L60 | 0.9306 |
137 | HYN | 0.9306 |
138 | SLP | 0.9305 |
139 | V1L | 0.9302 |
140 | 93B | 0.9300 |
141 | MTG | 0.9299 |
142 | 4AP | 0.9297 |
143 | HV2 | 0.9295 |
144 | GXE | 0.9291 |
145 | TAN | 0.9291 |
146 | 3HL | 0.9288 |
147 | TRI | 0.9286 |
148 | HUH | 0.9286 |
149 | A2Q | 0.9283 |
150 | MBN | 0.9283 |
151 | MLM | 0.9281 |
152 | CRD | 0.9278 |
153 | IMD | 0.9275 |
154 | LER | 0.9267 |
155 | HSW | 0.9257 |
156 | D2P | 0.9256 |
157 | C5J | 0.9253 |
158 | HRZ | 0.9250 |
159 | CNH | 0.9248 |
160 | HVK | 0.9240 |
161 | L89 | 0.9238 |
162 | BYZ | 0.9238 |
163 | 23W | 0.9238 |
164 | LGA | 0.9236 |
165 | DTL | 0.9229 |
166 | TB0 | 0.9227 |
167 | 2IM | 0.9223 |
168 | 2AP | 0.9221 |
169 | 76X | 0.9221 |
170 | 3AP | 0.9218 |
171 | VN4 | 0.9217 |
172 | 24T | 0.9213 |
173 | OSM | 0.9211 |
174 | CHT | 0.9203 |
175 | AAE | 0.9202 |
176 | CEJ | 0.9199 |
177 | 93Q | 0.9199 |
178 | 2AF | 0.9198 |
179 | 1AN | 0.9197 |
180 | VSO | 0.9194 |
181 | XIX | 0.9192 |
182 | WOT | 0.9190 |
183 | 3CL | 0.9187 |
184 | CAQ | 0.9186 |
185 | 8FH | 0.9184 |
186 | ES3 | 0.9184 |
187 | FP2 | 0.9184 |
188 | 192 | 0.9183 |
189 | MRY | 0.9183 |
190 | 938 | 0.9176 |
191 | OXE | 0.9171 |
192 | 4XX | 0.9171 |
193 | PYZ | 0.9166 |
194 | SSN | 0.9163 |
195 | JZ0 | 0.9162 |
196 | 8LG | 0.9162 |
197 | 92Z | 0.9160 |
198 | 8CL | 0.9146 |
199 | HHN | 0.9134 |
200 | MZ0 | 0.9131 |
201 | CXL | 0.9128 |
202 | CYH | 0.9128 |
203 | J1Z | 0.9127 |
204 | FW5 | 0.9124 |
205 | MCH | 0.9120 |
206 | HAI | 0.9115 |
207 | 2CH | 0.9114 |
208 | BEW | 0.9110 |
209 | TTO | 0.9110 |
210 | PRI | 0.9108 |
211 | HTS | 0.9099 |
212 | PIH | 0.9093 |
213 | YAN | 0.9081 |
214 | 280 | 0.9062 |
215 | HGW | 0.9060 |
216 | P2D | 0.9060 |
217 | TMZ | 0.9057 |
218 | TFB | 0.9044 |
219 | 6X8 | 0.9040 |
220 | ITU | 0.9033 |
221 | DCD | 0.9031 |
222 | 40O | 0.9030 |
223 | 285 | 0.9028 |
224 | 3ZQ | 0.9025 |
225 | E60 | 0.9023 |
226 | DTT | 0.9015 |
227 | NVI | 0.9014 |
228 | BRJ | 0.9012 |
229 | 1SP | 0.9010 |
230 | 2HE | 0.9010 |
231 | FJO | 0.9009 |
232 | IQ0 | 0.9005 |
233 | TMO | 0.9004 |
234 | PRS | 0.9001 |
235 | TAU | 0.9000 |
236 | 4DX | 0.8997 |
237 | FPO | 0.8996 |
238 | ICN | 0.8996 |
239 | BAE | 0.8996 |
240 | FMS | 0.8990 |
241 | H3M | 0.8988 |
242 | PRO | 0.8983 |
243 | URA | 0.8981 |
244 | HSE | 0.8973 |
245 | DAB | 0.8972 |
246 | TMT | 0.8972 |
247 | 9A7 | 0.8970 |
248 | POA | 0.8970 |
249 | 25T | 0.8966 |
250 | CYT | 0.8965 |
251 | 2HP | 0.8965 |
252 | KIV | 0.8964 |
253 | ODV | 0.8963 |
254 | HCS | 0.8962 |
255 | TBU | 0.8960 |
256 | 8X3 | 0.8959 |
257 | CSS | 0.8951 |
258 | DCE | 0.8949 |
259 | LG3 | 0.8946 |
260 | HPY | 0.8940 |
261 | TFS | 0.8936 |
262 | 278 | 0.8930 |
263 | 8GF | 0.8930 |
264 | 26D | 0.8926 |
265 | FUS | 0.8921 |
266 | 03S | 0.8915 |
267 | CRS | 0.8914 |
268 | DUC | 0.8911 |
269 | FOA | 0.8906 |
270 | MSF | 0.8906 |
271 | 1DH | 0.8887 |
272 | BVG | 0.8886 |
273 | MAK | 0.8886 |
274 | LG5 | 0.8886 |
275 | 2PA | 0.8879 |
276 | DTU | 0.8871 |
277 | ETX | 0.8869 |
278 | RCO | 0.8867 |
279 | BVF | 0.8864 |
280 | FCN | 0.8861 |
281 | PUT | 0.8855 |
282 | 2EZ | 0.8852 |
283 | 3CH | 0.8851 |
284 | MMQ | 0.8849 |
285 | CIG | 0.8848 |
286 | PYC | 0.8843 |
287 | 2PC | 0.8840 |
288 | WO6 | 0.8840 |
289 | HGQ | 0.8839 |
290 | P7I | 0.8836 |
291 | 9X7 | 0.8835 |
292 | JBN | 0.8833 |
293 | GB | 0.8818 |
294 | B3R | 0.8817 |
295 | T2C | 0.8814 |
296 | IDH | 0.8814 |
297 | ICC | 0.8809 |
298 | PAE | 0.8808 |
299 | BVC | 0.8799 |
300 | HVQ | 0.8799 |
301 | 9XN | 0.8789 |
302 | RSF | 0.8786 |
303 | 273 | 0.8778 |
304 | 4JN | 0.8777 |
305 | ART | 0.8774 |
306 | NCM | 0.8770 |
307 | BF4 | 0.8768 |
308 | PO4 | 0.8763 |
309 | M3T | 0.8762 |
310 | TP5 | 0.8757 |
311 | 4HS | 0.8738 |
312 | RP7 | 0.8738 |
313 | 1XX | 0.8734 |
314 | 4H2 | 0.8732 |
315 | ETM | 0.8730 |
316 | NEQ | 0.8727 |
317 | QPT | 0.8725 |
318 | BML | 0.8722 |
319 | 4CH | 0.8719 |
320 | IOL | 0.8717 |
321 | 284 | 0.8697 |
322 | SYN | 0.8694 |
323 | PEJ | 0.8690 |
324 | 2MH | 0.8688 |
325 | 1DU | 0.8686 |
326 | YHO | 0.8686 |
327 | CP | 0.8675 |
328 | ECE | 0.8675 |
329 | 4JU | 0.8627 |
330 | DPR | 0.8626 |
331 | 282 | 0.8623 |
332 | HZP | 0.8612 |
333 | WBU | 0.8612 |
334 | HQE | 0.8611 |
335 | PCR | 0.8610 |
336 | URF | 0.8608 |
337 | 25R | 0.8604 |
338 | LG4 | 0.8600 |
339 | PXY | 0.8590 |
340 | PLQ | 0.8570 |
341 | 3SY | 0.8565 |
342 | DA1 | 0.8560 |
This union binding pocket(no: 1) in the query (biounit: 6iop.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |