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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 5 families. | |||||
1 | 2Y42 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 2Y41 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
3 | 1HEX | Ki = 614.6 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4Y1P | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
2 | 6XXY | ic50 = 2.9 uM | O45 | C6 H9 N O4 | CC(=C)CONC.... |
3 | 1A05 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
4 | 5J32 | Kd = 8.3 uM | IPM | C7 H12 O5 | CC(C)[C@@H.... |
5 | 3TY3 | - | GGG | C6 H11 N3 O4 | C(C(=O)NCC.... |
6 | 2Y42 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
7 | 2Y41 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
8 | 1HEX | Ki = 614.6 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 5HN6 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CDV | 0.9343 |
2 | ICT | 0.9274 |
3 | P4B | 0.9239 |
4 | CIT | 0.9222 |
5 | OEM | 0.9199 |
6 | FLC | 0.9191 |
7 | TRA | 0.9182 |
8 | 2PG | 0.9175 |
9 | ATH | 0.9157 |
10 | QIC | 0.9152 |
11 | SIF | 0.9143 |
12 | 4P0 | 0.9136 |
13 | NFQ | 0.9130 |
14 | NTM | 0.9128 |
15 | 9PY | 0.9126 |
16 | GTQ | 0.9116 |
17 | FRU | 0.9104 |
18 | 7A3 | 0.9092 |
19 | NCD | 0.9087 |
20 | 7A2 | 0.9086 |
21 | MLE | 0.9079 |
22 | SKG | 0.9064 |
23 | GLA | 0.9056 |
24 | 23J | 0.9055 |
25 | GLC | 0.9049 |
26 | BGC | 0.9049 |
27 | QM1 | 0.9043 |
28 | LSA | 0.9041 |
29 | TRC | 0.9040 |
30 | 329 | 0.9036 |
31 | BDP | 0.9036 |
32 | ENL | 0.9034 |
33 | FB1 | 0.9028 |
34 | 6CS | 0.9025 |
35 | PHT | 0.9021 |
36 | G5V | 0.9015 |
37 | GAL | 0.9011 |
38 | RNT | 0.9009 |
39 | KDF | 0.9008 |
40 | IP0 | 0.9007 |
41 | NTC | 0.9003 |
42 | 54G | 0.9002 |
43 | 1AL | 0.9000 |
44 | RMN | 0.8999 |
45 | SLC | 0.8997 |
46 | 5RG | 0.8996 |
47 | 149 | 0.8992 |
48 | GLU | 0.8991 |
49 | 3SK | 0.8989 |
50 | SOE | 0.8983 |
51 | FBV | 0.8979 |
52 | LCN | 0.8976 |
53 | 7N0 | 0.8963 |
54 | PEP | 0.8962 |
55 | XAN | 0.8958 |
56 | SDD | 0.8958 |
57 | GTR | 0.8957 |
58 | MCO | 0.8955 |
59 | NOJ | 0.8953 |
60 | 6M4 | 0.8951 |
61 | PEZ | 0.8950 |
62 | PAF | 0.8950 |
63 | BE2 | 0.8949 |
64 | JKE | 0.8945 |
65 | AFR | 0.8943 |
66 | PRZ | 0.8942 |
67 | 92K | 0.8940 |
68 | KLW | 0.8939 |
69 | XSP | 0.8935 |
70 | 6JN | 0.8930 |
71 | 4TE | 0.8928 |
72 | 2AL | 0.8925 |
73 | EVA | 0.8924 |
74 | G3F | 0.8922 |
75 | GUN | 0.8919 |
76 | SC2 | 0.8917 |
77 | MEV | 0.8916 |
78 | 3U4 | 0.8911 |
79 | GCB | 0.8910 |
80 | SPV | 0.8907 |
81 | URQ | 0.8906 |
82 | SF6 | 0.8904 |
83 | G2F | 0.8904 |
84 | KBG | 0.8903 |
85 | 2FG | 0.8903 |
86 | FA1 | 0.8902 |
87 | 5M0 | 0.8901 |
88 | DOR | 0.8901 |
89 | 5CU | 0.8900 |
90 | SAL | 0.8895 |
91 | AVI | 0.8894 |
92 | MAN | 0.8886 |
93 | IFM | 0.8883 |
94 | AOS | 0.8882 |
95 | HHT | 0.8881 |
96 | 5ZZ | 0.8881 |
97 | XXP | 0.8880 |
98 | 4CS | 0.8879 |
99 | ADA | 0.8875 |
100 | GAF | 0.8875 |
101 | FOC | 0.8874 |
102 | TMH | 0.8874 |
103 | GOG | 0.8869 |
104 | 948 | 0.8868 |
105 | K6H | 0.8868 |
106 | ILE | 0.8866 |
107 | SF9 | 0.8865 |
108 | 2TQ | 0.8864 |
109 | IT9 | 0.8861 |
110 | IFL | 0.8861 |
111 | LGC | 0.8860 |
112 | GM7 | 0.8859 |
113 | CCB | 0.8858 |
114 | ALL | 0.8856 |
115 | ES6 | 0.8854 |
116 | 8S0 | 0.8854 |
117 | 7D2 | 0.8851 |
118 | B0D | 0.8849 |
119 | GCU | 0.8849 |
120 | DHK | 0.8848 |
121 | 091 | 0.8848 |
122 | FUC | 0.8847 |
123 | FA3 | 0.8846 |
124 | IPB | 0.8845 |
125 | DHS | 0.8842 |
126 | OAF | 0.8842 |
127 | KBB | 0.8841 |
128 | PSJ | 0.8841 |
129 | GCS | 0.8841 |
130 | DOB | 0.8841 |
131 | DQA | 0.8839 |
132 | 0MK | 0.8839 |
133 | GLN | 0.8837 |
134 | PSV | 0.8833 |
135 | XUL | 0.8832 |
136 | AZF | 0.8831 |
137 | FPK | 0.8829 |
138 | ASP | 0.8828 |
139 | BDF | 0.8827 |
140 | 94B | 0.8827 |
141 | MIC | 0.8826 |
142 | H62 | 0.8826 |
143 | 5HY | 0.8825 |
144 | X6X | 0.8825 |
145 | FCB | 0.8825 |
146 | CRN | 0.8824 |
147 | HHA | 0.8824 |
148 | MLT | 0.8819 |
149 | N7P | 0.8819 |
150 | FA0 | 0.8819 |
151 | ASO | 0.8815 |
152 | XLS | 0.8814 |
153 | RNS | 0.8811 |
154 | RM4 | 0.8811 |
155 | HIO | 0.8810 |
156 | IOM | 0.8809 |
157 | 2H5 | 0.8808 |
158 | INS | 0.8808 |
159 | 8WQ | 0.8807 |
160 | ITN | 0.8806 |
161 | 261 | 0.8805 |
162 | EYK | 0.8805 |
163 | ASC | 0.8803 |
164 | GXL | 0.8802 |
165 | G8M | 0.8802 |
166 | NHC | 0.8802 |
167 | SYG | 0.8801 |
168 | OHP | 0.8801 |
169 | 2CG | 0.8797 |
170 | GYE | 0.8794 |
171 | QDK | 0.8794 |
172 | ZXD | 0.8794 |
173 | 9TZ | 0.8793 |
174 | LFR | 0.8789 |
175 | 1LN | 0.8787 |
176 | 5AC | 0.8786 |
177 | E7Z | 0.8786 |
178 | RIP | 0.8785 |
179 | GIF | 0.8784 |
180 | 1P3 | 0.8784 |
181 | G4D | 0.8784 |
182 | 60Q | 0.8783 |
183 | N8P | 0.8782 |
184 | FUD | 0.8781 |
185 | 4SV | 0.8780 |
186 | LRH | 0.8779 |
187 | GTL | 0.8777 |
188 | AHR | 0.8776 |
189 | 5MK | 0.8775 |
190 | VPR | 0.8775 |
191 | YIO | 0.8774 |
192 | AI2 | 0.8772 |
193 | 9TY | 0.8770 |
194 | WOO | 0.8769 |
195 | 6LW | 0.8767 |
196 | VNJ | 0.8767 |
197 | SX1 | 0.8765 |
198 | IFP | 0.8764 |
199 | 3C7 | 0.8761 |
200 | SVJ | 0.8759 |
201 | SJ5 | 0.8759 |
202 | HMU | 0.8757 |
203 | 24B | 0.8757 |
204 | RAM | 0.8757 |
205 | RB0 | 0.8755 |
206 | PPR | 0.8755 |
207 | OAA | 0.8754 |
208 | BFM | 0.8753 |
209 | 0LH | 0.8752 |
210 | GBN | 0.8752 |
211 | X1E | 0.8750 |
212 | 3MV | 0.8749 |
213 | T9G | 0.8748 |
214 | DGJ | 0.8748 |
215 | DBX | 0.8747 |
216 | ASN | 0.8746 |
217 | DZX | 0.8742 |
218 | RIB | 0.8742 |
219 | MBG | 0.8741 |
220 | 3IT | 0.8741 |
221 | BHA | 0.8739 |
222 | AVJ | 0.8738 |
223 | PZI | 0.8736 |
224 | G2H | 0.8729 |
225 | PBE | 0.8728 |
226 | ISD | 0.8728 |
227 | HJP | 0.8727 |
228 | 3BU | 0.8726 |
229 | 4PW | 0.8724 |
230 | 4RW | 0.8724 |
231 | SEP | 0.8724 |
232 | HYA | 0.8722 |
233 | AH8 | 0.8719 |
234 | 3DO | 0.8718 |
235 | PAV | 0.8717 |
236 | FX1 | 0.8716 |
237 | 4NG | 0.8716 |
238 | 1AB | 0.8716 |
239 | DFU | 0.8715 |
240 | 95Z | 0.8715 |
241 | NLQ | 0.8712 |
242 | 1GN | 0.8712 |
243 | 4M0 | 0.8710 |
244 | P22 | 0.8707 |
245 | ROR | 0.8707 |
246 | X09 | 0.8705 |
247 | 5DI | 0.8704 |
248 | SHA | 0.8702 |
249 | GLO | 0.8701 |
250 | AKG | 0.8700 |
251 | 1WD | 0.8699 |
252 | HY3 | 0.8698 |
253 | 2AS | 0.8697 |
254 | CIZ | 0.8696 |
255 | FUL | 0.8696 |
256 | OXZ | 0.8694 |
257 | QAS | 0.8694 |
258 | BCU | 0.8693 |
259 | DMJ | 0.8691 |
260 | AGK | 0.8690 |
261 | 8EZ | 0.8687 |
262 | 40F | 0.8685 |
263 | CNL | 0.8684 |
264 | SKM | 0.8680 |
265 | XXR | 0.8678 |
266 | 1U5 | 0.8676 |
267 | V6F | 0.8674 |
268 | TAG | 0.8673 |
269 | MZB | 0.8673 |
270 | R1X | 0.8673 |
271 | R2B | 0.8673 |
272 | SOR | 0.8672 |
273 | ZZT | 0.8672 |
274 | GTZ | 0.8670 |
275 | DS0 | 0.8669 |
276 | 3OC | 0.8669 |
277 | LMR | 0.8668 |
278 | XYL | 0.8666 |
279 | RB5 | 0.8666 |
280 | AZA | 0.8665 |
281 | 2XX | 0.8665 |
282 | 2C2 | 0.8664 |
283 | 3CU | 0.8663 |
284 | TNE | 0.8662 |
285 | IF7 | 0.8661 |
286 | CDT | 0.8657 |
287 | DAS | 0.8655 |
288 | 8EW | 0.8654 |
289 | TPO | 0.8654 |
290 | HDL | 0.8652 |
291 | 3PO | 0.8649 |
292 | IMR | 0.8649 |
293 | FUB | 0.8647 |
294 | GZQ | 0.8645 |
295 | NXA | 0.8643 |
296 | DII | 0.8641 |
297 | AHB | 0.8640 |
298 | 7WV | 0.8638 |
299 | Z6J | 0.8636 |
300 | ARW | 0.8636 |
301 | XYS | 0.8635 |
302 | 15L | 0.8635 |
303 | CN0 | 0.8635 |
304 | 51F | 0.8632 |
305 | EKN | 0.8630 |
306 | MFU | 0.8624 |
307 | CMS | 0.8623 |
308 | EHM | 0.8623 |
309 | COI | 0.8620 |
310 | 911 | 0.8617 |
311 | J01 | 0.8617 |
312 | 6XI | 0.8615 |
313 | GOO | 0.8615 |
314 | PPK | 0.8613 |
315 | TH7 | 0.8612 |
316 | GZ8 | 0.8609 |
317 | AHD | 0.8608 |
318 | ARA | 0.8605 |
319 | ICF | 0.8605 |
320 | 3XX | 0.8604 |
321 | RM1 | 0.8599 |
322 | CGB | 0.8599 |
323 | GAG | 0.8598 |
324 | THE | 0.8598 |
325 | MVL | 0.8594 |
326 | PTO | 0.8592 |
327 | HA7 | 0.8591 |
328 | FUF | 0.8589 |
329 | RUU | 0.8589 |
330 | GLY ASP | 0.8581 |
331 | NK2 | 0.8576 |
332 | GIV | 0.8575 |
333 | 293 | 0.8574 |
334 | PCA | 0.8572 |
335 | KOJ | 0.8570 |
336 | OGA | 0.8569 |
337 | KP6 | 0.8567 |
338 | 98J | 0.8564 |
339 | MRZ | 0.8562 |
340 | AC5 | 0.8561 |
341 | F12 | 0.8558 |
342 | 4XR | 0.8546 |
343 | VAH | 0.8544 |
344 | L3Q | 0.8542 |
345 | TZE | 0.8537 |
346 | NSP | 0.8535 |
347 | 1U1 | 0.8534 |
348 | DGL | 0.8526 |
349 | GLY CYS | 0.8525 |
350 | 2DR | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 1hex.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1hex.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |