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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 21 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAG | 0.9370 |
2 | NOK | 0.9331 |
3 | NDG | 0.9286 |
4 | GDL | 0.9269 |
5 | 67Y | 0.9250 |
6 | 57O | 0.9242 |
7 | TNX | 0.9212 |
8 | FXH | 0.9184 |
9 | NGT | 0.9154 |
10 | F34 | 0.9149 |
11 | NLA | 0.9147 |
12 | 5OF | 0.9135 |
13 | NGW | 0.9126 |
14 | HQ6 | 0.9122 |
15 | ARP | 0.9119 |
16 | G6P | 0.9111 |
17 | 9F8 | 0.9109 |
18 | APS | 0.9106 |
19 | LTM | 0.9090 |
20 | EV2 | 0.9072 |
21 | 2CZ | 0.9061 |
22 | 8GK | 0.9059 |
23 | 790 | 0.9052 |
24 | JYT | 0.9051 |
25 | QMS | 0.9048 |
26 | BEU | 0.9044 |
27 | CSN | 0.9039 |
28 | OIA | 0.9027 |
29 | IFG | 0.9026 |
30 | JV4 | 0.9021 |
31 | G1P | 0.9021 |
32 | NGO | 0.9021 |
33 | 3LJ | 0.9018 |
34 | B41 | 0.9017 |
35 | JXW | 0.9014 |
36 | BK9 | 0.9008 |
37 | 5FN | 0.9008 |
38 | M3Q | 0.9007 |
39 | LIP | 0.9003 |
40 | JXK | 0.9002 |
41 | PLP | 0.9001 |
42 | PMP | 0.8995 |
43 | BZJ | 0.8991 |
44 | NBG | 0.8989 |
45 | LP8 | 0.8986 |
46 | 2LY | 0.8978 |
47 | BG6 | 0.8974 |
48 | 61M | 0.8970 |
49 | 7MX | 0.8970 |
50 | 091 | 0.8969 |
51 | JXZ | 0.8967 |
52 | 6VD | 0.8965 |
53 | GFP | 0.8963 |
54 | 3N4 | 0.8958 |
55 | GL1 | 0.8957 |
56 | 7FF | 0.8956 |
57 | I59 | 0.8955 |
58 | 54X | 0.8952 |
59 | X0T | 0.8950 |
60 | GC3 | 0.8949 |
61 | TXW | 0.8944 |
62 | EVA | 0.8941 |
63 | 5WU | 0.8937 |
64 | JF1 | 0.8934 |
65 | PYU | 0.8933 |
66 | IAC | 0.8932 |
67 | RVE | 0.8930 |
68 | 9KH | 0.8929 |
69 | 0LH | 0.8927 |
70 | TSS | 0.8927 |
71 | NPA | 0.8926 |
72 | IOS | 0.8924 |
73 | 0FK | 0.8922 |
74 | 0JD | 0.8922 |
75 | 92P | 0.8918 |
76 | C2Y | 0.8916 |
77 | 1BW | 0.8915 |
78 | CX4 | 0.8915 |
79 | KYA | 0.8914 |
80 | NPL | 0.8912 |
81 | SRO | 0.8912 |
82 | 4OG | 0.8909 |
83 | EPR | 0.8906 |
84 | 9UL | 0.8905 |
85 | 2GQ | 0.8903 |
86 | BA5 | 0.8901 |
87 | KW8 | 0.8899 |
88 | 96Z | 0.8896 |
89 | E1P | 0.8893 |
90 | GCU | 0.8891 |
91 | BDP | 0.8891 |
92 | GPM | 0.8891 |
93 | IBM | 0.8888 |
94 | NVU | 0.8888 |
95 | L1Q | 0.8886 |
96 | K3Q | 0.8885 |
97 | GCB | 0.8883 |
98 | 9KZ | 0.8882 |
99 | GJP | 0.8877 |
100 | 1SV | 0.8876 |
101 | N2I | 0.8875 |
102 | ALN | 0.8873 |
103 | BIO | 0.8872 |
104 | IPD | 0.8872 |
105 | S0G | 0.8869 |
106 | F95 | 0.8866 |
107 | LOG | 0.8866 |
108 | 6J9 | 0.8864 |
109 | 1QP | 0.8863 |
110 | 5NE | 0.8862 |
111 | S7G | 0.8859 |
112 | S8A | 0.8858 |
113 | 15N | 0.8857 |
114 | A2G | 0.8856 |
115 | CIT | 0.8854 |
116 | KF5 | 0.8852 |
117 | EXL | 0.8851 |
118 | 28S | 0.8850 |
119 | AC2 | 0.8846 |
120 | F5C | 0.8843 |
121 | MQG | 0.8842 |
122 | IOP | 0.8842 |
123 | DNF | 0.8841 |
124 | LZ2 | 0.8840 |
125 | L21 | 0.8840 |
126 | MS0 | 0.8838 |
127 | IPT | 0.8836 |
128 | 5NS | 0.8836 |
129 | PQZ | 0.8836 |
130 | 2UZ | 0.8835 |
131 | 2JX | 0.8834 |
132 | VYM | 0.8832 |
133 | YTX | 0.8830 |
134 | GLC | 0.8830 |
135 | XEN | 0.8829 |
136 | CIP | 0.8824 |
137 | HBO | 0.8824 |
138 | I2E | 0.8824 |
139 | 8ZE | 0.8821 |
140 | AMR | 0.8814 |
141 | DNA | 0.8813 |
142 | QIF | 0.8813 |
143 | 4Z9 | 0.8811 |
144 | 7AP | 0.8811 |
145 | 9BF | 0.8810 |
146 | DHY | 0.8809 |
147 | W22 | 0.8809 |
148 | DTR | 0.8803 |
149 | GLP | 0.8802 |
150 | 22L | 0.8801 |
151 | 9PY | 0.8800 |
152 | BGC | 0.8800 |
153 | GSY | 0.8798 |
154 | NHT | 0.8797 |
155 | 78U | 0.8796 |
156 | 2F8 | 0.8796 |
157 | 3RI | 0.8795 |
158 | QM1 | 0.8792 |
159 | 6HP | 0.8789 |
160 | 3N1 | 0.8789 |
161 | NGA | 0.8787 |
162 | TQL | 0.8786 |
163 | 363 | 0.8785 |
164 | 89J | 0.8785 |
165 | BCU | 0.8782 |
166 | 3VX | 0.8782 |
167 | 5V7 | 0.8781 |
168 | BQ2 | 0.8779 |
169 | 512 | 0.8777 |
170 | TRP | 0.8776 |
171 | X09 | 0.8775 |
172 | NSG | 0.8775 |
173 | H2B | 0.8774 |
174 | HBI | 0.8774 |
175 | YO5 | 0.8772 |
176 | RH1 | 0.8771 |
177 | H4B | 0.8771 |
178 | W81 | 0.8770 |
179 | 4AB | 0.8770 |
180 | 0J5 | 0.8769 |
181 | JY2 | 0.8769 |
182 | BBK | 0.8768 |
183 | DRG | 0.8768 |
184 | 9ZE | 0.8767 |
185 | M02 | 0.8767 |
186 | SNG | 0.8765 |
187 | 9H2 | 0.8760 |
188 | FWD | 0.8758 |
189 | 3IL | 0.8758 |
190 | KJ5 | 0.8757 |
191 | R8Y | 0.8755 |
192 | LGC | 0.8755 |
193 | 12T | 0.8754 |
194 | BNX | 0.8753 |
195 | 2K8 | 0.8752 |
196 | FLV | 0.8751 |
197 | ZPF | 0.8749 |
198 | 9R5 | 0.8749 |
199 | AM1 | 0.8748 |
200 | CUH | 0.8748 |
201 | ST2 | 0.8746 |
202 | MUX | 0.8745 |
203 | KWH | 0.8743 |
204 | 2O6 | 0.8743 |
205 | 6HO | 0.8741 |
206 | P0P | 0.8740 |
207 | M5N | 0.8740 |
208 | OTD | 0.8739 |
209 | L46 | 0.8738 |
210 | EXR | 0.8737 |
211 | NIY | 0.8737 |
212 | KP2 | 0.8737 |
213 | I4D | 0.8734 |
214 | TVP | 0.8731 |
215 | GAL | 0.8730 |
216 | 8RK | 0.8728 |
217 | PQK | 0.8726 |
218 | ZZZ | 0.8725 |
219 | ST3 | 0.8725 |
220 | 9GP | 0.8724 |
221 | GNL | 0.8723 |
222 | G3F | 0.8723 |
223 | GCS | 0.8722 |
224 | 4KL | 0.8722 |
225 | PXP | 0.8722 |
226 | TQU | 0.8721 |
227 | 68A | 0.8720 |
228 | XFE | 0.8719 |
229 | MAG | 0.8718 |
230 | JYW | 0.8716 |
231 | JYK | 0.8716 |
232 | GRX | 0.8715 |
233 | 3C4 | 0.8713 |
234 | PW1 | 0.8712 |
235 | 52F | 0.8711 |
236 | BY5 | 0.8710 |
237 | E7R | 0.8710 |
238 | DTE | 0.8709 |
239 | CR1 | 0.8706 |
240 | 9UG | 0.8706 |
241 | F6P | 0.8706 |
242 | CTE | 0.8705 |
243 | 54Z | 0.8704 |
244 | PH2 | 0.8702 |
245 | BHQ | 0.8702 |
246 | NAL | 0.8700 |
247 | JP2 | 0.8699 |
248 | RD4 | 0.8699 |
249 | 2ZQ | 0.8698 |
250 | T6Z | 0.8695 |
251 | CKA | 0.8694 |
252 | UAN | 0.8694 |
253 | N91 | 0.8693 |
254 | SKF | 0.8693 |
255 | 27B | 0.8689 |
256 | 5VL | 0.8687 |
257 | 96R | 0.8686 |
258 | R9Y | 0.8686 |
259 | 0OY | 0.8683 |
260 | UQ1 | 0.8682 |
261 | X0U | 0.8682 |
262 | BGN | 0.8681 |
263 | JXT | 0.8680 |
264 | M6P | 0.8680 |
265 | DJL | 0.8680 |
266 | 8W9 | 0.8678 |
267 | BM3 | 0.8678 |
268 | 5WS | 0.8673 |
269 | XDE | 0.8669 |
270 | JYB | 0.8665 |
271 | GLO | 0.8665 |
272 | LTN | 0.8664 |
273 | 2J2 | 0.8664 |
274 | CUT | 0.8664 |
275 | WUB | 0.8660 |
276 | AVR | 0.8659 |
277 | DEW | 0.8657 |
278 | 42R | 0.8654 |
279 | 0J4 | 0.8654 |
280 | BPS | 0.8653 |
281 | 5GT | 0.8650 |
282 | GO2 | 0.8646 |
283 | 7M6 | 0.8644 |
284 | M4E | 0.8644 |
285 | UFO | 0.8641 |
286 | L07 | 0.8640 |
287 | 4I8 | 0.8640 |
288 | DQU | 0.8639 |
289 | 4RU | 0.8639 |
290 | HHR | 0.8638 |
291 | MD6 | 0.8637 |
292 | JF2 | 0.8637 |
293 | 2KA | 0.8633 |
294 | FLC | 0.8632 |
295 | 4NS | 0.8631 |
296 | 1CY | 0.8627 |
297 | 67X | 0.8626 |
298 | NCD | 0.8626 |
299 | 3TV | 0.8624 |
300 | 2KU | 0.8621 |
301 | HPT | 0.8618 |
302 | 7VS | 0.8611 |
303 | CHQ | 0.8610 |
304 | HHT | 0.8610 |
305 | TT4 | 0.8610 |
306 | HLZ | 0.8609 |
307 | MUR | 0.8609 |
308 | KBG | 0.8608 |
309 | ZHA | 0.8608 |
310 | JHY | 0.8608 |
311 | XG1 | 0.8607 |
312 | 2J9 | 0.8606 |
313 | NB1 | 0.8606 |
314 | KWQ | 0.8606 |
315 | 3MG | 0.8604 |
316 | 3VW | 0.8603 |
317 | 7B3 | 0.8602 |
318 | V1T | 0.8601 |
319 | YKG | 0.8601 |
320 | 2JK | 0.8601 |
321 | 1F1 | 0.8600 |
322 | PLR | 0.8600 |
323 | ALR | 0.8599 |
324 | OSB | 0.8598 |
325 | 92O | 0.8597 |
326 | 2FY | 0.8596 |
327 | NFM | 0.8595 |
328 | MP5 | 0.8594 |
329 | FA3 | 0.8593 |
330 | QUB | 0.8590 |
331 | JAK | 0.8590 |
332 | KMY | 0.8588 |
333 | K82 | 0.8585 |
334 | Y0V | 0.8583 |
335 | FIX | 0.8581 |
336 | 28N | 0.8580 |
337 | B2Y | 0.8578 |
338 | CLZ | 0.8578 |
339 | MEX | 0.8572 |
340 | 3A9 | 0.8571 |
341 | 7L4 | 0.8570 |
342 | 0XT | 0.8569 |
343 | P84 | 0.8569 |
344 | A6P | 0.8567 |
345 | AVO | 0.8567 |
346 | EGR | 0.8565 |
347 | Z5P | 0.8564 |
348 | GNM | 0.8562 |
349 | 8NX | 0.8562 |
350 | XQI | 0.8560 |
351 | 9OF | 0.8560 |
352 | N2M | 0.8557 |
353 | 5PX | 0.8554 |
354 | H05 | 0.8549 |
355 | A1Y | 0.8548 |
356 | GCV | 0.8546 |
357 | XQK | 0.8542 |
358 | HQD | 0.8537 |
359 | 5WY | 0.8536 |
360 | TWB | 0.8535 |
361 | ONZ | 0.8535 |
362 | MHK | 0.8533 |
363 | GZQ | 0.8530 |
364 | KG1 | 0.8529 |
365 | 9FH | 0.8527 |
366 | P9T | 0.8527 |
367 | B21 | 0.8525 |
368 | OBP | 0.8525 |
369 | RM1 | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 5abh.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |