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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 13 families. | |||||
1 | 1O48 | ic50 = 450 nM | 853 | C33 H35 N3 O7 | CC(=O)N[C@.... |
2 | 1O4N | ic50 > 40 mM | OXD | C2 H2 O4 | C(=O)(C(=O.... |
3 | 1O44 | ic50 = 3 nM | 852 | C34 H35 N3 O9 | CC(=O)N[C@.... |
4 | 1O4G | ic50 > 5 mM | I59 | C11 H11 O4 P | c1ccc2c(c1.... |
5 | 1SHD | ic50 = 0.67 uM | ACE PTR GLU GLU ILE GLU | n/a | n/a |
6 | 1O4O | ic50 = 3.5 mM | HPS | C6 H7 O4 P | c1ccc(cc1).... |
7 | 1A08 | Kd = 2.4 uM | ACE FTY GLU DIP | n/a | n/a |
8 | 1A07 | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
9 | 1A1B | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
10 | 1NZV | Kd = 0.4 uM | PRO GLN PTR ILE PTR VAL PRO ALA | n/a | n/a |
11 | 1O4L | ic50 > 40 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
12 | 1SHA | - | PTR VAL PRO MET LEU | n/a | n/a |
13 | 1F1W | - | SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
14 | 1O4P | ic50 = 2.5 mM | 791 | C9 H8 O4 | c1ccc(cc1).... |
15 | 1O49 | ic50 = 437 nM | 493 | C32 H36 N3 O9 P | CC(=O)N[C@.... |
16 | 1O47 | ic50 = 4 nM | 822 | C31 H34 F2 N3 O6 P | CC(=O)N[C@.... |
17 | 1A1A | - | ACE PTH GLU DIP | n/a | n/a |
18 | 1SHB | - | PTR LEU ARG VAL ALA | n/a | n/a |
19 | 1O4B | ic50 = 2000 nM | 876 | C30 H35 N3 O9 P2 | CC(=O)N[C@.... |
20 | 1IS0 | Kd = 0.1 uM | AY0 GLU GLU ILE | n/a | n/a |
21 | 1A1E | Kd = 1 uM | ACE PTR GLU DIY | n/a | n/a |
22 | 4F5B | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
23 | 1O4J | ic50 = 4.4 mM | IS2 | C9 H12 N O4 P | CCc1ccc(cc.... |
24 | 1BKM | - | 1C5 | C26 H39 N4 O10 P | CC(=O)N[C@.... |
25 | 1O4Q | ic50 = 3.2 mM | 256 | C8 H8 O5 S | c1ccc(cc1).... |
26 | 1SKJ | ic50 = 7 uM | UR2 | C25 H38 N3 O10 P | CN(CCCC1CC.... |
27 | 1A1C | Kd = 0.4 uM | ACE PTR GLU DIX | n/a | n/a |
28 | 1O4H | ic50 = 3.6 mM | 772 | C10 H7 N2 O4 P | c1cc2ccc(n.... |
29 | 1P13 | - | CYS ASP PTR ALA ASN PHE LYS | n/a | n/a |
30 | 1KC2 | Kd = 0.21 uM | PRO GLN PTR GLU GLU ILE PRO ILE | n/a | n/a |
31 | 1O4R | ic50 = 3.9 mM | 787 | C7 H10 O6 P2 | c1ccc(cc1).... |
32 | 1O46 | ic50 = 10 nM | 903 | C35 H36 F N3 O9 | CC(=O)N[C@.... |
33 | 1NZL | Kd = 0.07 uM | PRO GLN PTR GLU PTR ILE PRO ALA | n/a | n/a |
34 | 1O4M | ic50 > 40 mM | MLA | C3 H4 O4 | C(C(=O)O)C.... |
35 | 1O4F | ic50 = 0.3 mM | 790 | C9 H12 N O4 P | c1cc2c(c(c.... |
36 | 1O42 | ic50 = 9 nM | 843 | C30 H34 N3 O7 P | CC(=O)N[C@.... |
37 | 1LKL | Kd = 1540 nM | ACE PTR GLU GLU GLY | n/a | n/a |
38 | 1FBZ | - | CC1 | C30 H41 N3 O10 P2 | CC(=O)N[C@.... |
39 | 1IJR | - | CC0 | C29 H38 N3 O10 P | C[C@@H](c1.... |
40 | 1CWE | - | ACE GLN PM3 GLU GLU ILE PRO | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3C7I | Ka = 440000 M^-1 | TVN | C21 H32 N5 O9 P | CC(C)[C@@H.... |
2 | 3S8O | Ka = 6960000 M^-1 | ACE PTR 02K ASN NH2 | n/a | n/a |
3 | 1O48 | ic50 = 450 nM | 853 | C33 H35 N3 O7 | CC(=O)N[C@.... |
4 | 1O4N | ic50 > 40 mM | OXD | C2 H2 O4 | C(=O)(C(=O.... |
5 | 1O44 | ic50 = 3 nM | 852 | C34 H35 N3 O9 | CC(=O)N[C@.... |
6 | 1O4G | ic50 > 5 mM | I59 | C11 H11 O4 P | c1ccc2c(c1.... |
7 | 1SHD | ic50 = 0.67 uM | ACE PTR GLU GLU ILE GLU | n/a | n/a |
8 | 1O4O | ic50 = 3.5 mM | HPS | C6 H7 O4 P | c1ccc(cc1).... |
9 | 1A08 | Kd = 2.4 uM | ACE FTY GLU DIP | n/a | n/a |
10 | 1A07 | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
11 | 1JYQ | Kd = 2 nM | MAZ PTR PTM ASN | n/a | n/a |
12 | 1LKK | Kd = 140 nM | ACE PTR GLU GLU ILE ACE | n/a | n/a |
13 | 1BHF | Kd = 42 uM | ACE 1PA GLU GLU ILE | n/a | n/a |
14 | 1LCK | - | GLU GLY GLN PTR GLN PRO GLN PRO ALA | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OXL | 1.0000 |
2 | HBR | 1.0000 |
3 | ALQ | 1.0000 |
4 | HBS | 1.0000 |
5 | NAK | 1.0000 |
6 | DAL | 1.0000 |
7 | NIS | 1.0000 |
8 | 2OP | 1.0000 |
9 | ALA | 1.0000 |
10 | LAC | 1.0000 |
11 | HGY | 1.0000 |
12 | PYM | 1.0000 |
13 | OXM | 1.0000 |
14 | 5Y9 | 0.9999 |
15 | BUO | 0.9996 |
16 | MB3 | 0.9829 |
17 | C5J | 0.9819 |
18 | 1AC | 0.9803 |
19 | DXX | 0.9794 |
20 | BU4 | 0.9781 |
21 | TF4 | 0.9780 |
22 | 3ZS | 0.9753 |
23 | 0PY | 0.9752 |
24 | FAH | 0.9748 |
25 | P1R | 0.9739 |
26 | GLY | 0.9705 |
27 | BNZ | 0.9693 |
28 | DMG | 0.9681 |
29 | 3PY | 0.9679 |
30 | 03W | 0.9678 |
31 | 6SP | 0.9675 |
32 | DGY | 0.9672 |
33 | 2KT | 0.9663 |
34 | GBL | 0.9662 |
35 | CYS | 0.9661 |
36 | SER | 0.9655 |
37 | THR | 0.9650 |
38 | MLI | 0.9641 |
39 | HUI | 0.9639 |
40 | J3K | 0.9637 |
41 | DSN | 0.9635 |
42 | DE2 | 0.9635 |
43 | GOA | 0.9632 |
44 | KSW | 0.9631 |
45 | HIU | 0.9626 |
46 | PPI | 0.9626 |
47 | KG7 | 0.9625 |
48 | BAL | 0.9615 |
49 | NIE | 0.9614 |
50 | 3OH | 0.9614 |
51 | HSL | 0.9609 |
52 | 4AX | 0.9608 |
53 | 7EX | 0.9601 |
54 | 1CB | 0.9600 |
55 | ALF | 0.9599 |
56 | AOA | 0.9588 |
57 | BMD | 0.9586 |
58 | SMB | 0.9577 |
59 | BUQ | 0.9577 |
60 | BAQ | 0.9575 |
61 | HAE | 0.9575 |
62 | SAR | 0.9572 |
63 | MMZ | 0.9564 |
64 | 3TR | 0.9560 |
65 | 2A1 | 0.9557 |
66 | B20 | 0.9550 |
67 | AKR | 0.9548 |
68 | HOW | 0.9542 |
69 | BUA | 0.9540 |
70 | 2A3 | 0.9540 |
71 | F3V | 0.9537 |
72 | MZY | 0.9530 |
73 | PHZ | 0.9529 |
74 | F50 | 0.9529 |
75 | 3MT | 0.9528 |
76 | 2AI | 0.9527 |
77 | DMI | 0.9526 |
78 | MLA | 0.9526 |
79 | NHY | 0.9516 |
80 | MR3 | 0.9512 |
81 | AGU | 0.9508 |
82 | 2MZ | 0.9503 |
83 | 2RA | 0.9502 |
84 | PZO | 0.9499 |
85 | AMT | 0.9498 |
86 | 1MZ | 0.9497 |
87 | HVB | 0.9496 |
88 | GOL | 0.9496 |
89 | IMD | 0.9494 |
90 | 4MZ | 0.9489 |
91 | ABA | 0.9487 |
92 | HUH | 0.9485 |
93 | A3B | 0.9482 |
94 | MGX | 0.9481 |
95 | MLM | 0.9478 |
96 | C2N | 0.9471 |
97 | 5MP | 0.9463 |
98 | 39J | 0.9461 |
99 | MZ0 | 0.9456 |
100 | R3W | 0.9449 |
101 | DCY | 0.9443 |
102 | HVK | 0.9442 |
103 | 2AP | 0.9441 |
104 | IPH | 0.9440 |
105 | ATQ | 0.9434 |
106 | 61G | 0.9429 |
107 | PPF | 0.9428 |
108 | MBN | 0.9426 |
109 | XAP | 0.9424 |
110 | TAY | 0.9423 |
111 | A2Q | 0.9422 |
112 | 5KX | 0.9417 |
113 | DTI | 0.9415 |
114 | NMU | 0.9413 |
115 | 3AP | 0.9399 |
116 | P2D | 0.9396 |
117 | L60 | 0.9395 |
118 | LGA | 0.9394 |
119 | DBB | 0.9391 |
120 | 3CL | 0.9385 |
121 | TSZ | 0.9381 |
122 | HRZ | 0.9377 |
123 | 3ZQ | 0.9374 |
124 | 9A4 | 0.9371 |
125 | JZ6 | 0.9361 |
126 | 9PO | 0.9354 |
127 | 3GR | 0.9348 |
128 | 3BB | 0.9348 |
129 | CYH | 0.9346 |
130 | CXL | 0.9346 |
131 | V1L | 0.9340 |
132 | EGD | 0.9338 |
133 | 4AP | 0.9332 |
134 | HAI | 0.9331 |
135 | WOT | 0.9327 |
136 | HLT | 0.9327 |
137 | AAE | 0.9320 |
138 | DTL | 0.9316 |
139 | SLP | 0.9315 |
140 | 93B | 0.9313 |
141 | 40O | 0.9310 |
142 | TRI | 0.9310 |
143 | 24T | 0.9308 |
144 | ATO | 0.9304 |
145 | 2IM | 0.9302 |
146 | HYN | 0.9299 |
147 | L89 | 0.9289 |
148 | 23W | 0.9288 |
149 | E60 | 0.9278 |
150 | 93Q | 0.9266 |
151 | 8LG | 0.9266 |
152 | 2HA | 0.9264 |
153 | FP2 | 0.9262 |
154 | CAQ | 0.9254 |
155 | 8CL | 0.9254 |
156 | BXA | 0.9253 |
157 | BYZ | 0.9246 |
158 | 92Z | 0.9243 |
159 | JZ0 | 0.9240 |
160 | PXO | 0.9235 |
161 | IVA | 0.9234 |
162 | GXV | 0.9234 |
163 | NVI | 0.9230 |
164 | 2AF | 0.9228 |
165 | MEU | 0.9225 |
166 | 76X | 0.9224 |
167 | CHT | 0.9224 |
168 | HV2 | 0.9223 |
169 | GXE | 0.9221 |
170 | MTG | 0.9216 |
171 | ES3 | 0.9216 |
172 | CEJ | 0.9215 |
173 | BUB | 0.9213 |
174 | 1AN | 0.9209 |
175 | 3HR | 0.9208 |
176 | 4DX | 0.9205 |
177 | BRP | 0.9197 |
178 | 938 | 0.9197 |
179 | 4XX | 0.9196 |
180 | PYZ | 0.9187 |
181 | TFB | 0.9187 |
182 | BEW | 0.9182 |
183 | ETF | 0.9179 |
184 | XIX | 0.9177 |
185 | LER | 0.9176 |
186 | TTO | 0.9169 |
187 | PRO | 0.9169 |
188 | 1BP | 0.9168 |
189 | OXE | 0.9167 |
190 | CP2 | 0.9167 |
191 | J1Z | 0.9152 |
192 | FJO | 0.9151 |
193 | H3M | 0.9150 |
194 | MRY | 0.9147 |
195 | 192 | 0.9144 |
196 | 285 | 0.9144 |
197 | HHN | 0.9134 |
198 | FOA | 0.9133 |
199 | FW5 | 0.9131 |
200 | PYC | 0.9130 |
201 | 3HL | 0.9126 |
202 | HTS | 0.9110 |
203 | 2CH | 0.9109 |
204 | 25T | 0.9105 |
205 | URA | 0.9092 |
206 | PIH | 0.9069 |
207 | HPY | 0.9065 |
208 | 6X8 | 0.9064 |
209 | BVC | 0.9062 |
210 | DUC | 0.9061 |
211 | MSF | 0.9061 |
212 | PRS | 0.9060 |
213 | TFS | 0.9060 |
214 | YAN | 0.9053 |
215 | FMS | 0.9051 |
216 | 8X3 | 0.9050 |
217 | 2HE | 0.9048 |
218 | HGW | 0.9047 |
219 | TCV | 0.9045 |
220 | MMU | 0.9045 |
221 | ITU | 0.9044 |
222 | 26D | 0.9040 |
223 | IQ0 | 0.9038 |
224 | CRS | 0.9035 |
225 | TP5 | 0.9031 |
226 | CYT | 0.9030 |
227 | 280 | 0.9029 |
228 | KIV | 0.9026 |
229 | 2PC | 0.9018 |
230 | TMZ | 0.9016 |
231 | XPO | 0.9015 |
232 | BAE | 0.9014 |
233 | AKB | 0.9014 |
234 | BVG | 0.9013 |
235 | TAU | 0.9011 |
236 | RCO | 0.9011 |
237 | DCD | 0.9004 |
238 | RP7 | 0.9003 |
239 | HSW | 0.9002 |
240 | DPR | 0.8989 |
241 | 3CH | 0.8989 |
242 | LG3 | 0.8988 |
243 | TZC | 0.8988 |
244 | FCN | 0.8987 |
245 | D2P | 0.8986 |
246 | ODV | 0.8985 |
247 | 265 | 0.8983 |
248 | PUT | 0.8982 |
249 | ALO | 0.8979 |
250 | DTU | 0.8978 |
251 | ABU | 0.8974 |
252 | PAE | 0.8973 |
253 | JBN | 0.8971 |
254 | LG5 | 0.8970 |
255 | 284 | 0.8967 |
256 | 1SP | 0.8964 |
257 | 273 | 0.8962 |
258 | VAL | 0.8957 |
259 | BVF | 0.8954 |
260 | 8GF | 0.8953 |
261 | PRI | 0.8950 |
262 | EDO | 0.8949 |
263 | POA | 0.8946 |
264 | TMT | 0.8944 |
265 | JAB | 0.8944 |
266 | BXO | 0.8943 |
267 | CRD | 0.8941 |
268 | ISU | 0.8937 |
269 | 2EZ | 0.8936 |
270 | ICN | 0.8921 |
271 | DTT | 0.8914 |
272 | VSO | 0.8913 |
273 | HVQ | 0.8910 |
274 | IDH | 0.8906 |
275 | SGL | 0.8903 |
276 | 1DH | 0.8901 |
277 | P7I | 0.8900 |
278 | CP | 0.8895 |
279 | CIG | 0.8894 |
280 | T2C | 0.8885 |
281 | RSF | 0.8879 |
282 | 1DU | 0.8874 |
283 | 1XX | 0.8860 |
284 | HGQ | 0.8854 |
285 | B3R | 0.8853 |
286 | M3T | 0.8844 |
287 | C21 | 0.8843 |
288 | 9X7 | 0.8837 |
289 | 25R | 0.8837 |
290 | SMV | 0.8833 |
291 | HEW | 0.8833 |
292 | 4JU | 0.8830 |
293 | PCR | 0.8820 |
294 | 278 | 0.8818 |
295 | ECE | 0.8815 |
296 | HQE | 0.8810 |
297 | 4H2 | 0.8808 |
298 | 4JN | 0.8807 |
299 | HCS | 0.8802 |
300 | NCM | 0.8799 |
301 | HHQ | 0.8796 |
302 | LG4 | 0.8793 |
303 | 9YL | 0.8792 |
304 | ETM | 0.8789 |
305 | 2MH | 0.8789 |
306 | DA1 | 0.8785 |
307 | MPD | 0.8784 |
308 | YHO | 0.8784 |
309 | BML | 0.8782 |
310 | MTD | 0.8778 |
311 | 4CH | 0.8773 |
312 | PLQ | 0.8772 |
313 | IOL | 0.8771 |
314 | APY | 0.8769 |
315 | SSN | 0.8765 |
316 | SYN | 0.8764 |
317 | BRJ | 0.8761 |
318 | 4HS | 0.8760 |
319 | URF | 0.8757 |
320 | TAN | 0.8756 |
321 | ETX | 0.8755 |
322 | ICC | 0.8754 |
323 | 13D | 0.8751 |
324 | FPN | 0.8750 |
325 | CNH | 0.8750 |
326 | PXY | 0.8749 |
327 | TDR | 0.8737 |
328 | 1MC | 0.8736 |
329 | JZ5 | 0.8734 |
330 | OSM | 0.8728 |
331 | 4HO | 0.8726 |
332 | DAB | 0.8717 |
333 | 282 | 0.8713 |
334 | WBU | 0.8710 |
335 | 27Y | 0.8704 |
336 | SAT | 0.8694 |
337 | MCT | 0.8690 |
338 | TB0 | 0.8690 |
339 | 9A7 | 0.8688 |
340 | 3MC | 0.8688 |
341 | MWJ | 0.8682 |
342 | 275 | 0.8679 |
343 | 1PT | 0.8679 |
344 | XYD | 0.8674 |
345 | 4CL | 0.8673 |
346 | NEQ | 0.8672 |
347 | JZ2 | 0.8665 |
348 | BZI | 0.8664 |
349 | 4ZE | 0.8663 |
350 | S0H | 0.8661 |
351 | GVH | 0.8660 |
352 | 4JJ | 0.8659 |
353 | BR9 | 0.8659 |
354 | MWM | 0.8658 |
355 | BZF | 0.8655 |
356 | 0R1 | 0.8652 |
357 | MPI | 0.8652 |
358 | 0CT | 0.8651 |
359 | TB6 | 0.8651 |
360 | ACT | 0.8651 |
361 | 4JP | 0.8650 |
362 | HSE | 0.8645 |
363 | FPY | 0.8645 |
364 | DSS | 0.8644 |
365 | IND | 0.8642 |
366 | DEN | 0.8639 |
367 | LZ1 | 0.8632 |
368 | HY3 | 0.8628 |
369 | 5UC | 0.8623 |
370 | XBZ | 0.8619 |
371 | PY7 | 0.8615 |
372 | HBX | 0.8610 |
373 | ABN | 0.8606 |
374 | TH0 | 0.8599 |
375 | FLM | 0.8591 |
376 | NBN | 0.8591 |
377 | NBE | 0.8587 |
378 | 1MR | 0.8555 |
379 | IUR | 0.8551 |
380 | JZ3 | 0.8550 |
381 | FFP | 0.8550 |
382 | PYJ | 0.8545 |
383 | PYG | 0.8543 |
384 | AXO | 0.8542 |
385 | ASP | 0.8533 |
386 | TAR | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 1o44.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |