- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
26 | 3UZO | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
27 | 3UYY | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
28 | 3HT5 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
29 | 5U3F | - | 7TS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | QMS | 0.9515 |
2 | BK9 | 0.9382 |
3 | M3Q | 0.9358 |
4 | ZME | 0.9336 |
5 | 8GK | 0.9331 |
6 | 96R | 0.9329 |
7 | OIA | 0.9327 |
8 | 790 | 0.9324 |
9 | C9E | 0.9323 |
10 | CX4 | 0.9282 |
11 | 9F8 | 0.9272 |
12 | 6J9 | 0.9264 |
13 | 1QP | 0.9262 |
14 | TRP | 0.9257 |
15 | GC2 | 0.9250 |
16 | 7I2 | 0.9233 |
17 | TQU | 0.9232 |
18 | 2LY | 0.9215 |
19 | 4ME | 0.9210 |
20 | EXR | 0.9200 |
21 | KYN | 0.9199 |
22 | CUT | 0.9194 |
23 | IOP | 0.9171 |
24 | AMR | 0.9169 |
25 | XFE | 0.9166 |
26 | BZM | 0.9157 |
27 | KYA | 0.9150 |
28 | XEN | 0.9148 |
29 | SRO | 0.9147 |
30 | 54X | 0.9145 |
31 | 2KU | 0.9142 |
32 | JR2 | 0.9142 |
33 | 3B4 | 0.9141 |
34 | 22L | 0.9138 |
35 | NPA | 0.9134 |
36 | 9BF | 0.9133 |
37 | 28S | 0.9131 |
38 | 5V7 | 0.9130 |
39 | 55D | 0.9125 |
40 | C2Y | 0.9114 |
41 | S0I | 0.9112 |
42 | 8XQ | 0.9111 |
43 | IAC | 0.9109 |
44 | SLY | 0.9106 |
45 | 5OF | 0.9101 |
46 | 92P | 0.9100 |
47 | 7FF | 0.9097 |
48 | LZ2 | 0.9096 |
49 | ZIP | 0.9095 |
50 | 7MX | 0.9090 |
51 | PW1 | 0.9090 |
52 | 57O | 0.9083 |
53 | L21 | 0.9082 |
54 | VYM | 0.9082 |
55 | VM1 | 0.9081 |
56 | QUB | 0.9080 |
57 | FUZ | 0.9078 |
58 | M5H | 0.9077 |
59 | MHK | 0.9076 |
60 | EGR | 0.9075 |
61 | LLG | 0.9074 |
62 | ALN | 0.9074 |
63 | NLA | 0.9072 |
64 | CKU | 0.9071 |
65 | IBC | 0.9066 |
66 | EXL | 0.9065 |
67 | 512 | 0.9064 |
68 | NVU | 0.9064 |
69 | 2GQ | 0.9059 |
70 | IOS | 0.9055 |
71 | ELH | 0.9041 |
72 | 5JT | 0.9041 |
73 | S8D | 0.9040 |
74 | BY5 | 0.9039 |
75 | 61M | 0.9038 |
76 | N7I | 0.9038 |
77 | DTR | 0.9035 |
78 | 25O | 0.9031 |
79 | TSS | 0.9028 |
80 | G1P | 0.9028 |
81 | 4A1 | 0.9027 |
82 | AYS | 0.9025 |
83 | 505 | 0.9021 |
84 | O2Y | 0.9018 |
85 | I59 | 0.9018 |
86 | ZYW | 0.9016 |
87 | C0W | 0.9012 |
88 | GZV | 0.9008 |
89 | 6DP | 0.9008 |
90 | JYW | 0.9007 |
91 | 5WU | 0.8998 |
92 | ZYV | 0.8998 |
93 | M02 | 0.8997 |
94 | 3IL | 0.8996 |
95 | HPT | 0.8989 |
96 | DNC | 0.8988 |
97 | JTH | 0.8986 |
98 | APS | 0.8982 |
99 | KFN | 0.8980 |
100 | F06 | 0.8980 |
101 | W8G | 0.8980 |
102 | 1X7 | 0.8979 |
103 | JXK | 0.8978 |
104 | M9N | 0.8977 |
105 | I2E | 0.8974 |
106 | 2ZQ | 0.8974 |
107 | 6HP | 0.8971 |
108 | Q5M | 0.8971 |
109 | 9UL | 0.8965 |
110 | 96Z | 0.8964 |
111 | G6P | 0.8964 |
112 | CKA | 0.8960 |
113 | 3RI | 0.8960 |
114 | B23 | 0.8959 |
115 | KLK | 0.8955 |
116 | ARP | 0.8955 |
117 | BB4 | 0.8952 |
118 | LTN | 0.8949 |
119 | 6XI | 0.8948 |
120 | JYK | 0.8947 |
121 | AOJ | 0.8945 |
122 | 2UZ | 0.8943 |
123 | CR1 | 0.8941 |
124 | AC2 | 0.8941 |
125 | OA3 | 0.8941 |
126 | QM1 | 0.8939 |
127 | EV3 | 0.8938 |
128 | JY2 | 0.8937 |
129 | FXH | 0.8937 |
130 | 7ZL | 0.8937 |
131 | 5NS | 0.8937 |
132 | L07 | 0.8936 |
133 | RVE | 0.8934 |
134 | PRZ | 0.8933 |
135 | 8RK | 0.8933 |
136 | KF5 | 0.8933 |
137 | 78P | 0.8932 |
138 | TXW | 0.8931 |
139 | 4KL | 0.8931 |
140 | IBM | 0.8930 |
141 | AKD | 0.8930 |
142 | FNA | 0.8930 |
143 | D1Y | 0.8926 |
144 | 6VD | 0.8925 |
145 | OSB | 0.8925 |
146 | LL1 | 0.8924 |
147 | GXG | 0.8922 |
148 | MQB | 0.8918 |
149 | AJD | 0.8917 |
150 | EVO | 0.8917 |
151 | TLM | 0.8917 |
152 | QZ8 | 0.8916 |
153 | 9KH | 0.8913 |
154 | AM1 | 0.8911 |
155 | JYT | 0.8911 |
156 | MD6 | 0.8910 |
157 | S3B | 0.8910 |
158 | BPY | 0.8910 |
159 | NBG | 0.8909 |
160 | UAN | 0.8909 |
161 | S3C | 0.8908 |
162 | NIP | 0.8907 |
163 | ETV | 0.8906 |
164 | VXX | 0.8906 |
165 | 8NX | 0.8906 |
166 | 67X | 0.8904 |
167 | B21 | 0.8904 |
168 | JHY | 0.8902 |
169 | ONZ | 0.8900 |
170 | 4Z9 | 0.8899 |
171 | H7S | 0.8899 |
172 | NBV | 0.8899 |
173 | 23J | 0.8897 |
174 | HA6 | 0.8894 |
175 | 2J9 | 0.8894 |
176 | CUH | 0.8893 |
177 | 5NE | 0.8893 |
178 | R9G | 0.8891 |
179 | SYR | 0.8885 |
180 | 0LH | 0.8884 |
181 | H7Y | 0.8884 |
182 | 3Y7 | 0.8881 |
183 | M01 | 0.8881 |
184 | S7B | 0.8879 |
185 | GPM | 0.8879 |
186 | LP8 | 0.8878 |
187 | P7Y | 0.8878 |
188 | K3Q | 0.8878 |
189 | T6Z | 0.8875 |
190 | 0FK | 0.8875 |
191 | PVQ | 0.8871 |
192 | 1X8 | 0.8871 |
193 | MBP | 0.8866 |
194 | 3VW | 0.8866 |
195 | 9E3 | 0.8865 |
196 | B4O | 0.8864 |
197 | XG1 | 0.8864 |
198 | KED | 0.8864 |
199 | F5C | 0.8858 |
200 | 61O | 0.8856 |
201 | 5PX | 0.8856 |
202 | JXT | 0.8855 |
203 | CTE | 0.8853 |
204 | NPL | 0.8851 |
205 | MNP | 0.8851 |
206 | 5E4 | 0.8851 |
207 | PLP | 0.8850 |
208 | PXP | 0.8847 |
209 | DBQ | 0.8847 |
210 | CLU | 0.8847 |
211 | 87L | 0.8847 |
212 | AIN | 0.8844 |
213 | STT | 0.8844 |
214 | 1A7 | 0.8843 |
215 | DXK | 0.8843 |
216 | NAG | 0.8843 |
217 | PVK | 0.8842 |
218 | OUB | 0.8842 |
219 | BG6 | 0.8842 |
220 | 5WM | 0.8840 |
221 | GN6 | 0.8840 |
222 | 2SX | 0.8838 |
223 | RD4 | 0.8838 |
224 | RK4 | 0.8835 |
225 | 5F5 | 0.8834 |
226 | JXZ | 0.8834 |
227 | GXD | 0.8832 |
228 | YO5 | 0.8832 |
229 | C09 | 0.8832 |
230 | XI7 | 0.8830 |
231 | M4B | 0.8828 |
232 | 49N | 0.8825 |
233 | JAK | 0.8821 |
234 | 3N4 | 0.8819 |
235 | OKM | 0.8818 |
236 | DNA | 0.8818 |
237 | TQL | 0.8814 |
238 | I4D | 0.8813 |
239 | 2LX | 0.8812 |
240 | 89J | 0.8810 |
241 | HVE | 0.8808 |
242 | CPW | 0.8807 |
243 | FER | 0.8807 |
244 | SLC | 0.8805 |
245 | ZON | 0.8804 |
246 | 9UG | 0.8804 |
247 | YTX | 0.8802 |
248 | 6PB | 0.8801 |
249 | XQI | 0.8800 |
250 | 3TC | 0.8799 |
251 | BQ5 | 0.8798 |
252 | GL1 | 0.8797 |
253 | XQK | 0.8797 |
254 | H35 | 0.8795 |
255 | 4R1 | 0.8795 |
256 | JV4 | 0.8795 |
257 | 8WZ | 0.8794 |
258 | CSN | 0.8793 |
259 | DHY | 0.8793 |
260 | JD7 | 0.8792 |
261 | FF2 | 0.8791 |
262 | EWG | 0.8790 |
263 | M5N | 0.8790 |
264 | ASE | 0.8788 |
265 | 2VQ | 0.8787 |
266 | GP1 | 0.8787 |
267 | BZQ | 0.8786 |
268 | OA1 | 0.8785 |
269 | F95 | 0.8783 |
270 | C9M | 0.8782 |
271 | 96U | 0.8781 |
272 | M0Q | 0.8781 |
273 | AX3 | 0.8781 |
274 | X0T | 0.8780 |
275 | DTE | 0.8780 |
276 | 15N | 0.8780 |
277 | 3LJ | 0.8779 |
278 | 2O6 | 0.8778 |
279 | 28N | 0.8776 |
280 | KG1 | 0.8771 |
281 | MZM | 0.8771 |
282 | GFP | 0.8770 |
283 | PMP | 0.8770 |
284 | MYI | 0.8769 |
285 | 4I8 | 0.8767 |
286 | 30G | 0.8764 |
287 | 091 | 0.8764 |
288 | FPL | 0.8763 |
289 | D80 | 0.8761 |
290 | EQA | 0.8759 |
291 | BDI | 0.8759 |
292 | OTD | 0.8758 |
293 | F34 | 0.8757 |
294 | EV2 | 0.8756 |
295 | UFO | 0.8755 |
296 | MFZ | 0.8755 |
297 | HLZ | 0.8753 |
298 | GO8 | 0.8750 |
299 | 0F9 | 0.8750 |
300 | ALE | 0.8750 |
301 | TZM | 0.8750 |
302 | PYU | 0.8749 |
303 | CHQ | 0.8749 |
304 | 7VS | 0.8748 |
305 | HA5 | 0.8747 |
306 | ONR | 0.8743 |
307 | NGT | 0.8739 |
308 | 9VZ | 0.8739 |
309 | 7M6 | 0.8738 |
310 | MJ5 | 0.8737 |
311 | ZEA | 0.8736 |
312 | GRX | 0.8735 |
313 | OX2 | 0.8733 |
314 | IPD | 0.8732 |
315 | A6H | 0.8729 |
316 | M6D | 0.8728 |
317 | CIT | 0.8727 |
318 | 1FF | 0.8727 |
319 | AVA | 0.8727 |
320 | MEX | 0.8726 |
321 | 12R | 0.8725 |
322 | DHC | 0.8724 |
323 | S0G | 0.8724 |
324 | FBG | 0.8724 |
325 | NQH | 0.8723 |
326 | AVO | 0.8723 |
327 | W22 | 0.8721 |
328 | 0OL | 0.8719 |
329 | SG2 | 0.8719 |
330 | TOM | 0.8718 |
331 | X6P | 0.8717 |
332 | 2UD | 0.8717 |
333 | 5WY | 0.8715 |
334 | M6P | 0.8714 |
335 | ICO | 0.8713 |
336 | IPT | 0.8713 |
337 | DNF | 0.8711 |
338 | 1Z8 | 0.8707 |
339 | CH8 | 0.8707 |
340 | GI4 | 0.8706 |
341 | A1Y | 0.8706 |
342 | P0P | 0.8705 |
343 | HNQ | 0.8703 |
344 | CFA | 0.8699 |
345 | P9I | 0.8691 |
346 | 4MX | 0.8691 |
347 | 6Q3 | 0.8689 |
348 | 0UT | 0.8689 |
349 | A4V | 0.8686 |
350 | E9S | 0.8685 |
351 | 7VF | 0.8685 |
352 | M0W | 0.8685 |
353 | 977 | 0.8685 |
354 | FC3 | 0.8683 |
355 | 5TO | 0.8680 |
356 | QIF | 0.8678 |
357 | TLF | 0.8678 |
358 | 1VQ | 0.8676 |
359 | 5V5 | 0.8676 |
360 | QBM | 0.8674 |
361 | GC3 | 0.8673 |
362 | 64F | 0.8673 |
363 | RKV | 0.8673 |
364 | 8OB | 0.8671 |
365 | MUR | 0.8671 |
366 | JXW | 0.8670 |
367 | B2Y | 0.8669 |
368 | D87 | 0.8668 |
369 | 5WS | 0.8668 |
370 | F40 | 0.8668 |
371 | 7ZC | 0.8667 |
372 | E7R | 0.8667 |
373 | HBI | 0.8667 |
374 | GLP | 0.8665 |
375 | NCV | 0.8662 |
376 | B41 | 0.8659 |
377 | 3R6 | 0.8658 |
378 | EBQ | 0.8656 |
379 | TU0 | 0.8655 |
380 | 363 | 0.8654 |
381 | U7E | 0.8653 |
382 | MMS | 0.8651 |
383 | C0H | 0.8650 |
384 | AZY | 0.8649 |
385 | 3SU | 0.8646 |
386 | BDP | 0.8646 |
387 | BIO | 0.8641 |
388 | KP2 | 0.8639 |
389 | 2JX | 0.8638 |
390 | X8Z | 0.8638 |
391 | EMZ | 0.8635 |
392 | M1H | 0.8635 |
393 | BPS | 0.8635 |
394 | MW5 | 0.8631 |
395 | KWQ | 0.8631 |
396 | 6ZW | 0.8628 |
397 | AKH | 0.8627 |
398 | 0Q2 | 0.8627 |
399 | LZB | 0.8626 |
400 | 9ZE | 0.8626 |
401 | 8G0 | 0.8625 |
402 | 5OO | 0.8624 |
403 | NHT | 0.8624 |
404 | PLR | 0.8623 |
405 | CG8 | 0.8622 |
406 | 0GY | 0.8621 |
407 | DCN | 0.8620 |
408 | DEE | 0.8619 |
409 | 8OE | 0.8619 |
410 | GZ2 | 0.8619 |
411 | HSX | 0.8618 |
412 | TNX | 0.8613 |
413 | U1K | 0.8613 |
414 | 6J3 | 0.8612 |
415 | M5E | 0.8612 |
416 | JXQ | 0.8612 |
417 | KOM | 0.8609 |
418 | JB8 | 0.8607 |
419 | 2CZ | 0.8605 |
420 | F69 | 0.8605 |
421 | PRO GLY | 0.8603 |
422 | H4B | 0.8602 |
423 | MS0 | 0.8597 |
424 | LQG | 0.8595 |
425 | N2I | 0.8595 |
426 | N3W | 0.8593 |
427 | JF2 | 0.8587 |
428 | EXD | 0.8584 |
429 | MUX | 0.8582 |
430 | 1AL | 0.8581 |
431 | DBJ | 0.8581 |
432 | A0O | 0.8576 |
433 | CCV | 0.8572 |
434 | 42C | 0.8572 |
435 | H5B | 0.8571 |
436 | A3Q | 0.8570 |
437 | BM3 | 0.8568 |
438 | ML1 | 0.8558 |
439 | K3Y | 0.8555 |
440 | GI1 | 0.8553 |
441 | LDP | 0.8553 |
442 | X1P | 0.8547 |
443 | Q6T | 0.8547 |
444 | 7L4 | 0.8540 |
445 | NIG | 0.8539 |
446 | GCB | 0.8538 |
447 | DBS | 0.8535 |
448 | THM | 0.8535 |
449 | 68A | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 5i60.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLP | 24.3902 |
2 | 6XU3 | PLP | 24.3902 |
This union binding pocket(no: 2) in the query (biounit: 5i60.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLP | 24.3902 |
2 | 6XU3 | PLP | 24.3902 |