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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 1 families. | |||||
1 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
2 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
3 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
4 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
5 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
6 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
7 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4LXI | - | 22J | C12 H8 F2 O4 | c1ccc(c(c1.... |
2 | 4LYE | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
3 | 4LXH | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
4 | 2WUE | - | KEK | C15 H14 Cl O4 | C[C@H](C=C.... |
5 | 5JZS | ic50 = 0.54 mM | FGZ | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
6 | 2WUF | Kd = 51 uM | KEM | C19 H25 O6 | C[C@H](C=C.... |
7 | 2WUG | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
8 | 5JZB | ic50 = 0.41 mM | 6OT | C6 H5 Cl2 N O2 S | c1c(cc(cc1.... |
9 | 3V1M | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
10 | 3V1K | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
11 | 2PUH | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
12 | 2PUJ | - | HPZ | C12 H10 O4 | c1ccc(cc1).... |
13 | 2RHW | - | C0E | C12 H8 F2 O4 | c1cc(ccc1C.... |
14 | 2RHT | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
15 | 3V1N | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
16 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
17 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
18 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
19 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
20 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
21 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
22 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LEA | 1 | 1 |
2 | 6NA | 0.681818 | 0.894737 |
3 | SHV | 0.652174 | 0.85 |
4 | BUA | 0.631579 | 0.823529 |
5 | OCA | 0.625 | 0.809524 |
6 | 11A | 0.6 | 0.809524 |
7 | MYR | 0.6 | 0.809524 |
8 | EW8 | 0.6 | 0.809524 |
9 | KNA | 0.6 | 0.809524 |
10 | PLM | 0.6 | 0.809524 |
11 | F15 | 0.6 | 0.809524 |
12 | F23 | 0.6 | 0.809524 |
13 | TDA | 0.6 | 0.809524 |
14 | DAO | 0.6 | 0.809524 |
15 | X90 | 0.6 | 0.809524 |
16 | STE | 0.6 | 0.809524 |
17 | DKA | 0.6 | 0.809524 |
18 | DCR | 0.6 | 0.809524 |
19 | GUA | 0.55 | 0.619048 |
20 | KTC | 0.483871 | 0.708333 |
21 | PPI | 0.473684 | 0.647059 |
22 | MYZ | 0.454545 | 0.809524 |
23 | ITY | 0.444444 | 0.68 |
24 | OLA | 0.441176 | 0.772727 |
25 | PAM | 0.441176 | 0.772727 |
26 | NER | 0.441176 | 0.772727 |
27 | ELA | 0.441176 | 0.772727 |
28 | VCA | 0.441176 | 0.772727 |
29 | SHF | 0.434783 | 0.7 |
30 | OOA | 0.433333 | 0.666667 |
31 | 69O | 0.416667 | 0.666667 |
32 | LIK | 0.411765 | 0.666667 |
33 | M12 | 0.40625 | 0.695652 |
34 | ODD | 0.405405 | 0.73913 |
35 | ACD | 0.405405 | 0.73913 |
36 | A8C | 0.4 | 0.636364 |
37 | 4MV | 0.4 | 0.736842 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ABU | 1.0000 |
2 | 3SS | 0.9944 |
3 | SSN | 0.9871 |
4 | SIN | 0.9761 |
5 | BXO | 0.9737 |
6 | VKC | 0.9701 |
7 | MLI | 0.9698 |
8 | BUB | 0.9685 |
9 | FUM | 0.9653 |
10 | ITU | 0.9624 |
11 | BMD | 0.9622 |
12 | 1KA | 0.9616 |
13 | MLA | 0.9597 |
14 | HSM | 0.9597 |
15 | SLP | 0.9559 |
16 | DAB | 0.9556 |
17 | CYS | 0.9555 |
18 | DSN | 0.9549 |
19 | MAE | 0.9548 |
20 | ETX | 0.9546 |
21 | 3HL | 0.9540 |
22 | PUT | 0.9539 |
23 | HTX | 0.9533 |
24 | XAP | 0.9529 |
25 | SHO | 0.9528 |
26 | O8Y | 0.9528 |
27 | HX2 | 0.9522 |
28 | HE2 | 0.9522 |
29 | PE9 | 0.9517 |
30 | HSE | 0.9517 |
31 | BAL | 0.9512 |
32 | 9X7 | 0.9510 |
33 | BU4 | 0.9509 |
34 | DAV | 0.9508 |
35 | NVA | 0.9504 |
36 | 4HA | 0.9501 |
37 | DMG | 0.9500 |
38 | HCS | 0.9498 |
39 | PG3 | 0.9495 |
40 | OPE | 0.9494 |
41 | SER | 0.9492 |
42 | H95 | 0.9490 |
43 | HDA | 0.9486 |
44 | YIV | 0.9484 |
45 | MSF | 0.9480 |
46 | A20 | 0.9472 |
47 | AML | 0.9470 |
48 | 03W | 0.9470 |
49 | ABA | 0.9465 |
50 | DQY | 0.9465 |
51 | 2KT | 0.9455 |
52 | IPU | 0.9443 |
53 | 9YL | 0.9433 |
54 | 7CL | 0.9432 |
55 | MTG | 0.9422 |
56 | 3PY | 0.9409 |
57 | ISU | 0.9409 |
58 | EGD | 0.9401 |
59 | DSS | 0.9401 |
60 | NBN | 0.9398 |
61 | 3OH | 0.9387 |
62 | NMG | 0.9376 |
63 | NVI | 0.9373 |
64 | IVA | 0.9370 |
65 | HP6 | 0.9367 |
66 | MLM | 0.9364 |
67 | P2D | 0.9363 |
68 | CSS | 0.9358 |
69 | 3HR | 0.9355 |
70 | DCY | 0.9351 |
71 | BML | 0.9344 |
72 | DGY | 0.9343 |
73 | DXX | 0.9341 |
74 | AAE | 0.9339 |
75 | SAR | 0.9338 |
76 | 5BR | 0.9335 |
77 | BUQ | 0.9329 |
78 | 266 | 0.9328 |
79 | MTD | 0.9327 |
80 | FAN | 0.9321 |
81 | MLT | 0.9314 |
82 | PRI | 0.9313 |
83 | PG0 | 0.9312 |
84 | HV2 | 0.9310 |
85 | HIU | 0.9306 |
86 | 1SP | 0.9304 |
87 | VAL | 0.9304 |
88 | 2RA | 0.9300 |
89 | 1DU | 0.9298 |
90 | IQ0 | 0.9298 |
91 | LMR | 0.9295 |
92 | C2N | 0.9294 |
93 | OAA | 0.9282 |
94 | TFB | 0.9282 |
95 | AMC | 0.9277 |
96 | ORN | 0.9276 |
97 | MZW | 0.9276 |
98 | FW5 | 0.9275 |
99 | DBB | 0.9275 |
100 | IHG | 0.9274 |
101 | MZ0 | 0.9274 |
102 | PRO | 0.9270 |
103 | BVG | 0.9270 |
104 | THR | 0.9266 |
105 | 49F | 0.9264 |
106 | HVQ | 0.9256 |
107 | KG7 | 0.9256 |
108 | 0VT | 0.9250 |
109 | HZP | 0.9247 |
110 | 7WG | 0.9246 |
111 | OHG | 0.9243 |
112 | MRY | 0.9243 |
113 | C5J | 0.9241 |
114 | FPI | 0.9235 |
115 | THE | 0.9232 |
116 | NLE | 0.9230 |
117 | SYN | 0.9224 |
118 | ASN | 0.9224 |
119 | BVC | 0.9224 |
120 | GLY GLY | 0.9220 |
121 | 4SD | 0.9216 |
122 | OEG | 0.9210 |
123 | 8X3 | 0.9204 |
124 | BP9 | 0.9197 |
125 | CHT | 0.9196 |
126 | KIV | 0.9195 |
127 | HBA | 0.9193 |
128 | PGA | 0.9193 |
129 | LEU | 0.9189 |
130 | SMB | 0.9189 |
131 | TZC | 0.9189 |
132 | 40E | 0.9184 |
133 | UGC | 0.9178 |
134 | AOA | 0.9174 |
135 | 2RH | 0.9172 |
136 | DCL | 0.9172 |
137 | HBX | 0.9171 |
138 | 4CH | 0.9170 |
139 | OKG | 0.9167 |
140 | DYA | 0.9164 |
141 | 3BB | 0.9159 |
142 | OK7 | 0.9157 |
143 | 3OL | 0.9154 |
144 | VAH | 0.9154 |
145 | ABN | 0.9151 |
146 | PEA | 0.9151 |
147 | 2CO | 0.9149 |
148 | DTU | 0.9149 |
149 | PYC | 0.9149 |
150 | GOL | 0.9147 |
151 | ASP | 0.9147 |
152 | 98J | 0.9147 |
153 | URP | 0.9144 |
154 | SGL | 0.9144 |
155 | 23W | 0.9140 |
156 | DE2 | 0.9138 |
157 | POA | 0.9137 |
158 | FOA | 0.9136 |
159 | IXW | 0.9134 |
160 | COM | 0.9129 |
161 | 2PC | 0.9128 |
162 | MET | 0.9124 |
163 | JBN | 0.9122 |
164 | PYF | 0.9117 |
165 | 5XA | 0.9117 |
166 | BHH | 0.9114 |
167 | 16D | 0.9113 |
168 | 3OM | 0.9112 |
169 | TP5 | 0.9111 |
170 | ZBT | 0.9111 |
171 | CRN | 0.9109 |
172 | 4VP | 0.9105 |
173 | TAU | 0.9104 |
174 | PAE | 0.9104 |
175 | NBE | 0.9100 |
176 | 2EZ | 0.9099 |
177 | CXF | 0.9094 |
178 | XRG | 0.9093 |
179 | B24 | 0.9089 |
180 | GLN | 0.9084 |
181 | PY7 | 0.9080 |
182 | OCT | 0.9077 |
183 | N6C | 0.9077 |
184 | 1SH | 0.9074 |
185 | TB6 | 0.9071 |
186 | S0H | 0.9071 |
187 | 1DH | 0.9067 |
188 | COI | 0.9065 |
189 | CP | 0.9064 |
190 | 9SB | 0.9060 |
191 | 2EH | 0.9057 |
192 | BHL | 0.9057 |
193 | FBJ | 0.9051 |
194 | LDU | 0.9042 |
195 | MED | 0.9041 |
196 | 54D | 0.9037 |
197 | ETM | 0.9037 |
198 | ILE | 0.9037 |
199 | 2HE | 0.9037 |
200 | SMV | 0.9036 |
201 | 25T | 0.9036 |
202 | PYJ | 0.9034 |
203 | 39J | 0.9030 |
204 | MEU | 0.9030 |
205 | HUI | 0.9029 |
206 | 282 | 0.9029 |
207 | PCA | 0.9028 |
208 | JZ7 | 0.9026 |
209 | C21 | 0.9026 |
210 | DTL | 0.9023 |
211 | MPD | 0.9023 |
212 | TEO | 0.9021 |
213 | 3CL | 0.9020 |
214 | 1GP | 0.9019 |
215 | FQI | 0.9017 |
216 | APY | 0.9015 |
217 | 9A7 | 0.9010 |
218 | TZL | 0.9008 |
219 | 1MR | 0.9007 |
220 | X1S | 0.9006 |
221 | DAS | 0.9004 |
222 | RSO | 0.9004 |
223 | KMT | 0.9003 |
224 | D2P | 0.9002 |
225 | PAH | 0.8997 |
226 | 7VD | 0.8996 |
227 | ODV | 0.8996 |
228 | 51F | 0.8995 |
229 | FJO | 0.8993 |
230 | 273 | 0.8992 |
231 | EFS | 0.8987 |
232 | LER | 0.8984 |
233 | PRS | 0.8980 |
234 | PCT | 0.8977 |
235 | GXV | 0.8974 |
236 | JYD | 0.8973 |
237 | G3P | 0.8969 |
238 | HY1 | 0.8965 |
239 | T2C | 0.8964 |
240 | FBA | 0.8964 |
241 | LLQ | 0.8961 |
242 | BEZ | 0.8956 |
243 | C2B | 0.8955 |
244 | LG4 | 0.8953 |
245 | PBC | 0.8950 |
246 | BAM | 0.8940 |
247 | SAT | 0.8937 |
248 | BEN | 0.8936 |
249 | PEL | 0.8930 |
250 | 2HA | 0.8928 |
251 | 13D | 0.8928 |
252 | CRD | 0.8927 |
253 | 9CL | 0.8925 |
254 | 3PP | 0.8923 |
255 | IOM | 0.8922 |
256 | XBT | 0.8920 |
257 | NCA | 0.8919 |
258 | TZE | 0.8919 |
259 | 4HS | 0.8918 |
260 | GLU | 0.8906 |
261 | JZ5 | 0.8903 |
262 | PCR | 0.8901 |
263 | 14J | 0.8899 |
264 | 9X6 | 0.8898 |
265 | HQE | 0.8894 |
266 | UYA | 0.8894 |
267 | ACA | 0.8891 |
268 | 4JN | 0.8891 |
269 | M58 | 0.8889 |
270 | PXY | 0.8886 |
271 | LYS | 0.8882 |
272 | H8N | 0.8882 |
273 | GOJ | 0.8880 |
274 | IZC | 0.8878 |
275 | DPR | 0.8877 |
276 | BBU | 0.8875 |
277 | CEE | 0.8875 |
278 | IOL | 0.8873 |
279 | NIO | 0.8871 |
280 | NXA | 0.8870 |
281 | R2B | 0.8869 |
282 | 6PC | 0.8867 |
283 | PLQ | 0.8867 |
284 | UNU | 0.8862 |
285 | P7I | 0.8857 |
286 | AG2 | 0.8854 |
287 | XPO | 0.8851 |
288 | AKG | 0.8850 |
289 | MSE | 0.8847 |
290 | NTN | 0.8841 |
291 | PZA | 0.8838 |
292 | PEP | 0.8831 |
293 | BTL | 0.8830 |
294 | GLY ALA | 0.8826 |
295 | NBZ | 0.8816 |
296 | SPA | 0.8816 |
297 | ITN | 0.8813 |
298 | RBL | 0.8811 |
299 | PXO | 0.8811 |
300 | 271 | 0.8810 |
301 | UY7 | 0.8809 |
302 | BNS | 0.8809 |
303 | ISZ | 0.8808 |
304 | PHB | 0.8807 |
305 | 0CL | 0.8807 |
306 | VX | 0.8804 |
307 | HSO | 0.8802 |
308 | 265 | 0.8798 |
309 | PZI | 0.8796 |
310 | 3SL | 0.8795 |
311 | I1E | 0.8790 |
312 | PKU | 0.8790 |
313 | 268 | 0.8789 |
314 | SPV | 0.8786 |
315 | VGL | 0.8785 |
316 | URO | 0.8780 |
317 | CFI | 0.8777 |
318 | SD4 | 0.8776 |
319 | XLS | 0.8773 |
320 | XUL | 0.8771 |
321 | PPR | 0.8765 |
322 | LNO | 0.8763 |
323 | 0V5 | 0.8763 |
324 | JAB | 0.8758 |
325 | 13P | 0.8756 |
326 | AL0 | 0.8756 |
327 | DE5 | 0.8755 |
328 | M4T | 0.8750 |
329 | GJZ | 0.8750 |
330 | 4JM | 0.8750 |
331 | TPA | 0.8748 |
332 | SS1 | 0.8747 |
333 | PHU | 0.8740 |
334 | EOU | 0.8740 |
335 | K34 | 0.8739 |
336 | 2HG | 0.8739 |
337 | 5FX | 0.8738 |
338 | MUC | 0.8736 |
339 | AC0 | 0.8733 |
340 | ACH | 0.8728 |
341 | BNF | 0.8727 |
342 | CMS | 0.8727 |
343 | ROR | 0.8725 |
344 | NIZ | 0.8724 |
345 | 258 | 0.8723 |
346 | BHO | 0.8723 |
347 | SRT | 0.8720 |
348 | DGL | 0.8718 |
349 | OGA | 0.8718 |
350 | S2G | 0.8717 |
351 | 2AS | 0.8712 |
352 | KMH | 0.8711 |
353 | PRA | 0.8710 |
354 | XYL | 0.8705 |
355 | RB5 | 0.8705 |
356 | S8V | 0.8703 |
357 | GP9 | 0.8696 |
358 | PGH | 0.8691 |
359 | MMU | 0.8686 |
360 | YRL | 0.8683 |
361 | HYP | 0.8680 |
362 | E60 | 0.8676 |
363 | 717 | 0.8674 |
364 | TLA | 0.8673 |
365 | FBM | 0.8669 |
366 | DGN | 0.8665 |
367 | AHB | 0.8662 |
368 | GZ3 | 0.8660 |
369 | G3H | 0.8657 |
370 | TAR | 0.8638 |
371 | PLU | 0.8635 |
372 | DPF | 0.8633 |
373 | QSC | 0.8627 |
374 | KOJ | 0.8625 |
375 | PSE | 0.8614 |
376 | DTT | 0.8611 |
377 | 1DV | 0.8608 |
378 | AEF | 0.8583 |
379 | FSG | 0.8570 |
380 | HBD | 0.8566 |
381 | PBZ | 0.8565 |
382 | HIO | 0.8563 |
383 | P72 | 0.8554 |
384 | ICF | 0.8553 |
385 | 1Y6 | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 1iup.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1iup.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1iup.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1iup.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1iup.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1iup.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |