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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 3 families. | |||||
1 | 1KRM | - | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
2 | 1QXL | Ki = 11 nM | FR8 | C27 H31 N5 O3 | c1ccc(cc1).... |
3 | 1UML | Ki = 30 nM | FR4 | C25 H27 N5 O3 | c1ccc(cc1).... |
4 | 2E1W | Ki = 11 nM | FR6 | C19 H21 N3 O2 | C[C@@H]([C.... |
5 | 1WXY | - | FRK | C21 H22 N2 O3 S | CCCCCC(=O).... |
6 | 1NDV | Ki = 1.2 uM | FR0 | C16 H15 N7 S2 | c1ccc2c(c1.... |
7 | 1NDY | Ki = 0.68 uM | FR3 | C18 H19 N3 O2 | c1ccc2c(c1.... |
8 | 1O5R | Ki = 7.5 nM | FR9 | C24 H26 N6 O3 | c1ccc(cc1).... |
9 | 1NDW | Ki = 5.9 uM | FR2 | C14 H17 N3 O2 | c1ccc(cc1).... |
10 | 1V79 | Ki = 13 nM | FR7 | C15 H17 Cl2 N3 O2 | C[C@@H]([C.... |
11 | 1V7A | Ki = 9.8 nM | FRC | C19 H21 N3 O3 | C[C@@H]([C.... |
12 | 1NDZ | Ki = 7.7 nM | FR5 | C27 H29 N7 O3 | Cn1c2ccccc.... |
13 | 2ADA | Ki ~ 0.1 pM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
14 | 1FKW | Ki = 9 uM | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
15 | 1UIO | Ki = 45 uM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
16 | 1ADD | Ki = 0.18 uM | 1DA | C11 H14 N4 O4 | c1cnc2c(c1.... |
17 | 1UIP | - | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
18 | 1A4M | Ki ~ 0.1 pM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
19 | 1FKX | Ki = 6 mM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1KRM | - | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
2 | 1QXL | Ki = 11 nM | FR8 | C27 H31 N5 O3 | c1ccc(cc1).... |
3 | 1UML | Ki = 30 nM | FR4 | C25 H27 N5 O3 | c1ccc(cc1).... |
4 | 2E1W | Ki = 11 nM | FR6 | C19 H21 N3 O2 | C[C@@H]([C.... |
5 | 1WXY | - | FRK | C21 H22 N2 O3 S | CCCCCC(=O).... |
6 | 1NDV | Ki = 1.2 uM | FR0 | C16 H15 N7 S2 | c1ccc2c(c1.... |
7 | 1NDY | Ki = 0.68 uM | FR3 | C18 H19 N3 O2 | c1ccc2c(c1.... |
8 | 1O5R | Ki = 7.5 nM | FR9 | C24 H26 N6 O3 | c1ccc(cc1).... |
9 | 1NDW | Ki = 5.9 uM | FR2 | C14 H17 N3 O2 | c1ccc(cc1).... |
10 | 1V79 | Ki = 13 nM | FR7 | C15 H17 Cl2 N3 O2 | C[C@@H]([C.... |
11 | 1V7A | Ki = 9.8 nM | FRC | C19 H21 N3 O3 | C[C@@H]([C.... |
12 | 1NDZ | Ki = 7.7 nM | FR5 | C27 H29 N7 O3 | Cn1c2ccccc.... |
13 | 2ADA | Ki ~ 0.1 pM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
14 | 1FKW | Ki = 9 uM | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
15 | 1UIO | Ki = 45 uM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
16 | 1ADD | Ki = 0.18 uM | 1DA | C11 H14 N4 O4 | c1cnc2c(c1.... |
17 | 1UIP | - | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
18 | 1A4M | Ki ~ 0.1 pM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
19 | 1FKX | Ki = 6 mM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PRH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HPR | 1.0000 |
2 | ADN | 0.9896 |
3 | 1DA | 0.9825 |
4 | PUR | 0.9787 |
5 | NOS | 0.9769 |
6 | 5FD | 0.9753 |
7 | FMC | 0.9751 |
8 | 9DI | 0.9747 |
9 | FMB | 0.9743 |
10 | 5N5 | 0.9737 |
11 | UA2 | 0.9733 |
12 | IMH | 0.9733 |
13 | 5AD | 0.9721 |
14 | TBN | 0.9709 |
15 | 5CD | 0.9705 |
16 | A4D | 0.9697 |
17 | CFE | 0.9682 |
18 | A | 0.9673 |
19 | NWW | 0.9665 |
20 | DBM | 0.9661 |
21 | MDR | 0.9626 |
22 | 2FA | 0.9615 |
23 | MTA | 0.9608 |
24 | GMP | 0.9595 |
25 | 5ID | 0.9592 |
26 | 5F1 | 0.9587 |
27 | XYA | 0.9586 |
28 | 3D1 | 0.9584 |
29 | MTP | 0.9583 |
30 | TAL | 0.9577 |
31 | Y3J | 0.9575 |
32 | FTU | 0.9575 |
33 | AD3 | 0.9572 |
34 | 4UO | 0.9569 |
35 | 8OX | 0.9566 |
36 | EKH | 0.9559 |
37 | 3AD | 0.9557 |
38 | FM2 | 0.9550 |
39 | RPP | 0.9543 |
40 | CL9 | 0.9529 |
41 | NOC | 0.9526 |
42 | ARJ | 0.9526 |
43 | DCF | 0.9525 |
44 | 6MD | 0.9511 |
45 | MTH | 0.9508 |
46 | 2FD | 0.9496 |
47 | MTM | 0.9494 |
48 | 5NB | 0.9488 |
49 | F01 | 0.9484 |
50 | GNG | 0.9475 |
51 | THM | 0.9463 |
52 | RFZ | 0.9442 |
53 | 7D7 | 0.9440 |
54 | MTI | 0.9433 |
55 | 3BH | 0.9414 |
56 | MG7 | 0.9411 |
57 | CTN | 0.9400 |
58 | RAB | 0.9395 |
59 | URI | 0.9386 |
60 | 5UD | 0.9382 |
61 | FM1 | 0.9376 |
62 | AFX | 0.9366 |
63 | IMG | 0.9356 |
64 | NWQ | 0.9349 |
65 | 5I5 | 0.9341 |
66 | MCF | 0.9340 |
67 | NNR | 0.9339 |
68 | 5BT | 0.9290 |
69 | 0DN | 0.9280 |
70 | 26A | 0.9271 |
71 | RBV | 0.9262 |
72 | DUR | 0.9261 |
73 | 5MD | 0.9257 |
74 | CDY | 0.9255 |
75 | H7S | 0.9248 |
76 | 3DT | 0.9221 |
77 | TIZ | 0.9206 |
78 | 13A | 0.9203 |
79 | MZR | 0.9199 |
80 | MCY | 0.9198 |
81 | ZAS | 0.9187 |
82 | I5A | 0.9180 |
83 | 2TU | 0.9171 |
84 | 5AE | 0.9171 |
85 | HO4 | 0.9169 |
86 | DCZ | 0.9160 |
87 | THU | 0.9155 |
88 | B86 | 0.9155 |
89 | CC5 | 0.9152 |
90 | NIR | 0.9149 |
91 | NXB | 0.9149 |
92 | XYP AHR | 0.9131 |
93 | 3L1 | 0.9121 |
94 | 7CI | 0.9110 |
95 | 92O | 0.9109 |
96 | NEC | 0.9104 |
97 | 8HG | 0.9097 |
98 | SCT | 0.9095 |
99 | XTS | 0.9094 |
100 | ID2 | 0.9091 |
101 | TO1 | 0.9084 |
102 | ZEB | 0.9084 |
103 | TIA | 0.9082 |
104 | 1FL | 0.9078 |
105 | 28A | 0.9075 |
106 | TMC | 0.9068 |
107 | XIL | 0.9060 |
108 | XDL XYP | 0.9060 |
109 | 4GU | 0.9040 |
110 | DBS | 0.9038 |
111 | X2M | 0.9037 |
112 | XYP XYP | 0.9034 |
113 | 3DH | 0.9030 |
114 | EXG | 0.9028 |
115 | DNB | 0.9028 |
116 | AHU | 0.9021 |
117 | LLT | 0.9020 |
118 | H4B | 0.9006 |
119 | KF5 | 0.9005 |
120 | P2L | 0.9003 |
121 | EXX | 0.9001 |
122 | NQ7 | 0.8987 |
123 | ACE TRP | 0.8986 |
124 | FHI | 0.8978 |
125 | WCU | 0.8975 |
126 | IXG | 0.8974 |
127 | RVD | 0.8973 |
128 | NEO | 0.8965 |
129 | H2B | 0.8960 |
130 | 1Q4 | 0.8946 |
131 | XYP XYS | 0.8946 |
132 | QQY | 0.8923 |
133 | TRP | 0.8922 |
134 | XYP XIF | 0.8920 |
135 | XIF XYP | 0.8920 |
136 | SP1 | 0.8915 |
137 | XYP XDN | 0.8912 |
138 | XDN XYP | 0.8912 |
139 | 9UL | 0.8910 |
140 | 3WO | 0.8908 |
141 | 3WN | 0.8908 |
142 | XYS XYS | 0.8904 |
143 | PCQ | 0.8903 |
144 | HBI | 0.8901 |
145 | RP1 | 0.8897 |
146 | Z8B | 0.8897 |
147 | TR7 | 0.8896 |
148 | C4E | 0.8895 |
149 | CMP | 0.8895 |
150 | CQW | 0.8887 |
151 | BHS | 0.8887 |
152 | QQX | 0.8886 |
153 | AOJ | 0.8883 |
154 | 38E | 0.8882 |
155 | ZYV | 0.8882 |
156 | PIR | 0.8879 |
157 | ITW | 0.8879 |
158 | 1SF | 0.8875 |
159 | AMP | 0.8871 |
160 | 4AB | 0.8868 |
161 | CTE | 0.8866 |
162 | JMQ | 0.8865 |
163 | C0H | 0.8862 |
164 | 4K2 | 0.8860 |
165 | 1ZC | 0.8859 |
166 | 5JT | 0.8859 |
167 | A3N | 0.8857 |
168 | 3D8 | 0.8852 |
169 | 0GA | 0.8848 |
170 | 092 | 0.8845 |
171 | EAT | 0.8844 |
172 | ZYW | 0.8831 |
173 | DTE | 0.8831 |
174 | ACK | 0.8829 |
175 | GA2 | 0.8825 |
176 | NEU | 0.8824 |
177 | XYS XYP | 0.8824 |
178 | ZIQ | 0.8821 |
179 | 1KN | 0.8820 |
180 | GPK | 0.8813 |
181 | Z15 | 0.8811 |
182 | W29 | 0.8810 |
183 | SGV | 0.8807 |
184 | IMQ | 0.8802 |
185 | CX5 | 0.8801 |
186 | 5E5 | 0.8789 |
187 | NIY | 0.8789 |
188 | 2QU | 0.8787 |
189 | 4OG | 0.8786 |
190 | M02 | 0.8781 |
191 | 8DA | 0.8780 |
192 | EXR | 0.8780 |
193 | 28B | 0.8778 |
194 | U4J | 0.8777 |
195 | C2M | 0.8775 |
196 | VBC | 0.8774 |
197 | DTR | 0.8773 |
198 | 5BX | 0.8772 |
199 | ZMG | 0.8771 |
200 | 6J3 | 0.8767 |
201 | DK4 | 0.8763 |
202 | 0QV | 0.8761 |
203 | M5H | 0.8759 |
204 | ZSP | 0.8759 |
205 | Z57 | 0.8758 |
206 | 0SY | 0.8756 |
207 | EXL | 0.8755 |
208 | AWE | 0.8754 |
209 | 5E4 | 0.8753 |
210 | KHP | 0.8751 |
211 | 2L2 | 0.8748 |
212 | 2DL | 0.8747 |
213 | NE1 | 0.8746 |
214 | M01 | 0.8746 |
215 | 2L1 | 0.8745 |
216 | H75 | 0.8737 |
217 | 3RP | 0.8737 |
218 | 9CE | 0.8736 |
219 | JA3 | 0.8734 |
220 | G30 | 0.8733 |
221 | QME | 0.8732 |
222 | Q4G | 0.8732 |
223 | 833 | 0.8731 |
224 | ZJB | 0.8730 |
225 | RVB | 0.8730 |
226 | 6SX | 0.8728 |
227 | 0FR | 0.8725 |
228 | 7ZL | 0.8724 |
229 | JF8 | 0.8722 |
230 | 78U | 0.8719 |
231 | HVE | 0.8716 |
232 | LTN | 0.8715 |
233 | X29 | 0.8714 |
234 | RVC | 0.8714 |
235 | VCE | 0.8713 |
236 | SGP | 0.8712 |
237 | GPQ | 0.8711 |
238 | LL1 | 0.8709 |
239 | LVY | 0.8708 |
240 | EZN | 0.8707 |
241 | 64I | 0.8705 |
242 | CJZ | 0.8704 |
243 | AVX | 0.8704 |
244 | 3WK | 0.8703 |
245 | 6SW | 0.8702 |
246 | MXD | 0.8702 |
247 | W23 | 0.8701 |
248 | BIO | 0.8693 |
249 | A4G | 0.8690 |
250 | IMP | 0.8689 |
251 | MPU | 0.8688 |
252 | 6EL | 0.8687 |
253 | ID8 | 0.8685 |
254 | GPU | 0.8683 |
255 | 2GD | 0.8683 |
256 | A4V | 0.8681 |
257 | 6ZW | 0.8679 |
258 | PE2 | 0.8672 |
259 | NE2 | 0.8671 |
260 | 0OK | 0.8669 |
261 | ZRK | 0.8668 |
262 | 848 | 0.8666 |
263 | 3IP | 0.8663 |
264 | S1D | 0.8663 |
265 | MQR | 0.8660 |
266 | IMK | 0.8658 |
267 | WVV | 0.8656 |
268 | 5C1 | 0.8654 |
269 | 7L4 | 0.8653 |
270 | XEV | 0.8652 |
271 | EAJ | 0.8650 |
272 | DG | 0.8648 |
273 | DKZ | 0.8648 |
274 | 7CH | 0.8648 |
275 | 3Y7 | 0.8646 |
276 | 3AK | 0.8645 |
277 | 7VF | 0.8641 |
278 | 35G | 0.8640 |
279 | S0G | 0.8640 |
280 | 51Y | 0.8639 |
281 | MFR | 0.8638 |
282 | JSX | 0.8638 |
283 | X48 | 0.8637 |
284 | AZZ | 0.8637 |
285 | FY8 | 0.8635 |
286 | 6SZ | 0.8635 |
287 | KYN | 0.8632 |
288 | 42R | 0.8629 |
289 | N5O | 0.8628 |
290 | LJ4 | 0.8627 |
291 | CJB | 0.8627 |
292 | AOC | 0.8623 |
293 | GAL FUC | 0.8623 |
294 | GW3 | 0.8622 |
295 | ZEZ | 0.8621 |
296 | X11 | 0.8621 |
297 | 69K | 0.8618 |
298 | 7FZ | 0.8617 |
299 | BBY | 0.8615 |
300 | AUV | 0.8615 |
301 | DXK | 0.8615 |
302 | EDG AHR | 0.8611 |
303 | DKX | 0.8608 |
304 | 16Z | 0.8604 |
305 | Q9T | 0.8601 |
306 | F40 | 0.8600 |
307 | TI7 | 0.8598 |
308 | 75G | 0.8596 |
309 | OVE | 0.8595 |
310 | 7EH | 0.8593 |
311 | EF2 | 0.8592 |
312 | VJJ | 0.8586 |
313 | B2L | 0.8585 |
314 | Q2S | 0.8585 |
315 | S7D | 0.8584 |
316 | TH4 | 0.8584 |
317 | 7AP | 0.8584 |
318 | 9FH | 0.8583 |
319 | 363 | 0.8582 |
320 | 5P7 | 0.8578 |
321 | WDW | 0.8574 |
322 | 15Q | 0.8572 |
323 | M0N | 0.8570 |
324 | R9G | 0.8569 |
325 | GDQ GLC | 0.8561 |
326 | GFE | 0.8559 |
327 | XCG | 0.8555 |
328 | 4E5 | 0.8555 |
329 | 8D6 | 0.8553 |
330 | LJ3 | 0.8547 |
331 | WOE | 0.8546 |
332 | 39Z | 0.8545 |
333 | 2LT | 0.8541 |
334 | LI4 | 0.8537 |
335 | AJ4 | 0.8524 |
336 | 4FF | 0.8524 |
337 | D5M | 0.8522 |
338 | JNW | 0.8520 |
339 | Y70 | 0.8518 |
340 | 47X | 0.8510 |
341 | 0UL | 0.8509 |
This union binding pocket(no: 1) in the query (biounit: 2ada.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |