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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 | 1TJY | - | PAV | C5 H10 O5 | C[C@@]1(C(.... |
2 | 3EJW | - | PAV | C5 H10 O5 | C[C@@]1(C(.... |
3 | 3T95 | - | PAV | C5 H10 O5 | C[C@@]1(C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 1TJY | - | PAV | C5 H10 O5 | C[C@@]1(C(.... |
2 | 3EJW | - | PAV | C5 H10 O5 | C[C@@]1(C(.... |
3 | 3T95 | - | PAV | C5 H10 O5 | C[C@@]1(C(.... |
4 | 6DSP | Kd = 0.81 uM | PAV | C5 H10 O5 | C[C@@]1(C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PAV | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CAM | 0.9418 |
2 | 9TY | 0.9409 |
3 | 23B | 0.9363 |
4 | RUU | 0.9355 |
5 | CAE | 0.9354 |
6 | 34V | 0.9339 |
7 | TCM | 0.9332 |
8 | 2BN | 0.9321 |
9 | XYS | 0.9320 |
10 | FAC | 0.9300 |
11 | WTZ | 0.9285 |
12 | 6HQ | 0.9261 |
13 | QFH | 0.9249 |
14 | YHO | 0.9234 |
15 | 64K | 0.9233 |
16 | ADM | 0.9220 |
17 | 0MK | 0.9215 |
18 | PTO | 0.9212 |
19 | FUL | 0.9207 |
20 | BDR | 0.9190 |
21 | RIP | 0.9189 |
22 | 3ZQ | 0.9189 |
23 | YTB | 0.9183 |
24 | ARA | 0.9182 |
25 | PBE | 0.9180 |
26 | SVJ | 0.9180 |
27 | FUF | 0.9177 |
28 | IMR | 0.9170 |
29 | R1X | 0.9160 |
30 | R2B | 0.9160 |
31 | LDU | 0.9159 |
32 | NCM | 0.9159 |
33 | VAL | 0.9149 |
34 | LXC | 0.9148 |
35 | 40O | 0.9146 |
36 | CNL | 0.9146 |
37 | FUB | 0.9135 |
38 | EDG | 0.9131 |
39 | 4PW | 0.9128 |
40 | PAF | 0.9126 |
41 | ADO | 0.9100 |
42 | 3DY | 0.9096 |
43 | XYP | 0.9093 |
44 | TNE | 0.9090 |
45 | BAE | 0.9082 |
46 | AC5 | 0.9080 |
47 | GCS | 0.9076 |
48 | LRH | 0.9074 |
49 | IFM | 0.9048 |
50 | AHR | 0.9047 |
51 | KIV | 0.9037 |
52 | AKB | 0.9027 |
53 | 4DX | 0.9026 |
54 | 280 | 0.9025 |
55 | FPY | 0.9024 |
56 | XXR | 0.9021 |
57 | 192 | 0.9016 |
58 | 1AB | 0.9014 |
59 | AGK | 0.9013 |
60 | RSF | 0.9010 |
61 | CGB | 0.9009 |
62 | TMH | 0.9006 |
63 | FUC | 0.9002 |
64 | FLA | 0.9000 |
65 | ABE | 0.9000 |
66 | RP7 | 0.8997 |
67 | THR | 0.8996 |
68 | KPL | 0.8992 |
69 | CAH | 0.8991 |
70 | SEJ | 0.8988 |
71 | RAM | 0.8985 |
72 | GOO | 0.8985 |
73 | PYG | 0.8983 |
74 | ARB | 0.8978 |
75 | WBU | 0.8974 |
76 | AZF | 0.8973 |
77 | TLA | 0.8973 |
78 | RIB | 0.8972 |
79 | GG6 | 0.8962 |
80 | HZP | 0.8962 |
81 | DFU | 0.8954 |
82 | 32O | 0.8954 |
83 | GLC | 0.8946 |
84 | 4XX | 0.8940 |
85 | 308 | 0.8936 |
86 | THE | 0.8935 |
87 | ALO | 0.8934 |
88 | IFL | 0.8932 |
89 | BMA | 0.8929 |
90 | CAQ | 0.8928 |
91 | Z6J | 0.8923 |
92 | URF | 0.8923 |
93 | GIF | 0.8916 |
94 | FMS | 0.8910 |
95 | BEW | 0.8910 |
96 | 4JU | 0.8904 |
97 | 2MH | 0.8904 |
98 | 4CH | 0.8901 |
99 | 911 | 0.8901 |
100 | AFR | 0.8892 |
101 | GLU | 0.8889 |
102 | 7EX | 0.8884 |
103 | HPY | 0.8880 |
104 | DMJ | 0.8876 |
105 | 5DI | 0.8876 |
106 | 5AC | 0.8870 |
107 | 2XX | 0.8867 |
108 | I2M | 0.8864 |
109 | 1AC | 0.8863 |
110 | 8EZ | 0.8858 |
111 | SER | 0.8858 |
112 | TAY | 0.8857 |
113 | MB3 | 0.8855 |
114 | SYN | 0.8851 |
115 | IPH | 0.8849 |
116 | NEQ | 0.8848 |
117 | JZ3 | 0.8845 |
118 | HSL | 0.8845 |
119 | DMV | 0.8845 |
120 | B0D | 0.8843 |
121 | H3M | 0.8841 |
122 | TAR | 0.8840 |
123 | ARW | 0.8837 |
124 | FCA | 0.8835 |
125 | APY | 0.8827 |
126 | HUI | 0.8826 |
127 | TMZ | 0.8824 |
128 | VAH | 0.8821 |
129 | OAF | 0.8821 |
130 | BGC | 0.8819 |
131 | ODV | 0.8817 |
132 | MLT | 0.8817 |
133 | 4AX | 0.8814 |
134 | NOJ | 0.8812 |
135 | LER | 0.8812 |
136 | MRY | 0.8811 |
137 | 1XX | 0.8809 |
138 | FPK | 0.8807 |
139 | 8LG | 0.8800 |
140 | HY3 | 0.8800 |
141 | BDF | 0.8791 |
142 | R8A | 0.8788 |
143 | XUL | 0.8786 |
144 | BFM | 0.8779 |
145 | 3V4 | 0.8776 |
146 | ECE | 0.8774 |
147 | TMT | 0.8774 |
148 | EHM | 0.8774 |
149 | A2Q | 0.8773 |
150 | FFP | 0.8772 |
151 | SOE | 0.8772 |
152 | OAA | 0.8772 |
153 | MNM | 0.8770 |
154 | 938 | 0.8770 |
155 | DUC | 0.8769 |
156 | OXZ | 0.8768 |
157 | KSW | 0.8766 |
158 | MAK | 0.8764 |
159 | TFS | 0.8763 |
160 | L89 | 0.8762 |
161 | 76X | 0.8760 |
162 | PCR | 0.8760 |
163 | 93Q | 0.8760 |
164 | XLS | 0.8759 |
165 | 51F | 0.8754 |
166 | SNE | 0.8754 |
167 | DSN | 0.8753 |
168 | 3MC | 0.8750 |
169 | MBD | 0.8750 |
170 | 6KX | 0.8747 |
171 | MLI | 0.8747 |
172 | G4D | 0.8746 |
173 | SRT | 0.8746 |
174 | DFB | 0.8744 |
175 | 3FA | 0.8744 |
176 | ROR | 0.8741 |
177 | JZ1 | 0.8741 |
178 | 1AN | 0.8740 |
179 | 92Z | 0.8740 |
180 | URA | 0.8739 |
181 | ADE | 0.8739 |
182 | PRO | 0.8739 |
183 | OXQ | 0.8738 |
184 | TFB | 0.8736 |
185 | ICC | 0.8736 |
186 | 3U4 | 0.8736 |
187 | FP2 | 0.8730 |
188 | PLQ | 0.8730 |
189 | SAL | 0.8728 |
190 | MAN | 0.8727 |
191 | HPA | 0.8726 |
192 | ASN | 0.8724 |
193 | 0R0 | 0.8724 |
194 | NK | 0.8723 |
195 | HQE | 0.8720 |
196 | TDR | 0.8720 |
197 | MAE | 0.8719 |
198 | ILE | 0.8718 |
199 | IPM | 0.8717 |
200 | BML | 0.8717 |
201 | DAS | 0.8716 |
202 | O7U | 0.8716 |
203 | FCB | 0.8715 |
204 | RM4 | 0.8711 |
205 | RNS | 0.8710 |
206 | 2C9 | 0.8710 |
207 | BE2 | 0.8706 |
208 | LMR | 0.8703 |
209 | ASP | 0.8702 |
210 | CXL | 0.8702 |
211 | CYH | 0.8702 |
212 | FCN | 0.8698 |
213 | 2CH | 0.8697 |
214 | 282 | 0.8693 |
215 | IDH | 0.8693 |
216 | CRN | 0.8692 |
217 | 7HP | 0.8691 |
218 | HLT | 0.8690 |
219 | DA1 | 0.8690 |
220 | LG4 | 0.8690 |
221 | 25R | 0.8689 |
222 | 2IM | 0.8689 |
223 | 286 | 0.8688 |
224 | HYP | 0.8687 |
225 | JZ0 | 0.8687 |
226 | FLM | 0.8683 |
227 | L60 | 0.8683 |
228 | HTS | 0.8681 |
229 | HAI | 0.8681 |
230 | GAG | 0.8680 |
231 | FPN | 0.8680 |
232 | 6F0 | 0.8678 |
233 | MFU | 0.8676 |
234 | TM4 | 0.8671 |
235 | IP0 | 0.8670 |
236 | 1MC | 0.8664 |
237 | 6MH | 0.8660 |
238 | 2MY | 0.8660 |
239 | H76 | 0.8652 |
240 | RBL | 0.8648 |
241 | ICN | 0.8647 |
242 | GLA | 0.8645 |
243 | PAE | 0.8641 |
244 | V1L | 0.8641 |
245 | MFB | 0.8641 |
246 | MMZ | 0.8639 |
247 | CHT | 0.8638 |
248 | VNJ | 0.8637 |
249 | 3CE | 0.8634 |
250 | LGA | 0.8634 |
251 | PXY | 0.8633 |
252 | 4HS | 0.8630 |
253 | 278 | 0.8628 |
254 | HIO | 0.8621 |
255 | 6X8 | 0.8621 |
256 | 4HO | 0.8620 |
257 | A1U | 0.8620 |
258 | 3MH | 0.8620 |
259 | OXE | 0.8620 |
260 | 2AF | 0.8620 |
261 | KYD | 0.8617 |
262 | CIZ | 0.8614 |
263 | DPR | 0.8613 |
264 | FRU | 0.8611 |
265 | HV2 | 0.8611 |
266 | 2AP | 0.8610 |
267 | ICP | 0.8610 |
268 | MCT | 0.8608 |
269 | UYA | 0.8607 |
270 | 9PO | 0.8601 |
271 | 4JN | 0.8600 |
272 | BZI | 0.8600 |
273 | 2CM | 0.8600 |
274 | 4ZE | 0.8598 |
275 | 93B | 0.8598 |
276 | DGY | 0.8598 |
277 | HVK | 0.8597 |
278 | PEP | 0.8593 |
279 | 3XX | 0.8591 |
280 | HRZ | 0.8590 |
281 | LZ1 | 0.8590 |
282 | HIU | 0.8588 |
283 | GVH | 0.8587 |
284 | 4AP | 0.8584 |
285 | 3AP | 0.8580 |
286 | XYD | 0.8580 |
287 | 5UC | 0.8580 |
288 | 0R1 | 0.8580 |
289 | BZF | 0.8578 |
290 | 260 | 0.8576 |
291 | 03W | 0.8574 |
292 | 0CT | 0.8570 |
293 | GXL | 0.8566 |
294 | MBN | 0.8563 |
295 | XBZ | 0.8556 |
296 | DUB | 0.8554 |
297 | 3HR | 0.8551 |
298 | IND | 0.8550 |
299 | 4CL | 0.8541 |
300 | HYN | 0.8540 |
301 | WOT | 0.8540 |
302 | 3PY | 0.8535 |
303 | F81 | 0.8535 |
304 | BTE | 0.8534 |
305 | 5MH | 0.8530 |
306 | 27Y | 0.8526 |
307 | L3Q | 0.8525 |
308 | DMI | 0.8520 |
309 | OEM | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 3t95.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |