- 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 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8UY | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GVI | 0.9597 |
2 | JFS | 0.9478 |
3 | 5YA | 0.9291 |
4 | 4MP | 0.9278 |
5 | 1FL | 0.9259 |
6 | FBC | 0.9235 |
7 | 6T5 | 0.9229 |
8 | Q5M | 0.9228 |
9 | AWE | 0.9217 |
10 | 6J9 | 0.9211 |
11 | 26C | 0.9178 |
12 | 2KU | 0.9164 |
13 | FHI | 0.9161 |
14 | 3Y7 | 0.9154 |
15 | U4J | 0.9153 |
16 | 3WJ | 0.9152 |
17 | ZEA | 0.9149 |
18 | VBC | 0.9143 |
19 | NU3 | 0.9142 |
20 | ELH | 0.9141 |
21 | MEX | 0.9135 |
22 | JSX | 0.9135 |
23 | S1D | 0.9129 |
24 | 7VF | 0.9124 |
25 | IDZ | 0.9108 |
26 | 4K2 | 0.9097 |
27 | 5TU | 0.9094 |
28 | A5H | 0.9090 |
29 | SNV | 0.9074 |
30 | 6J3 | 0.9067 |
31 | AYS | 0.9066 |
32 | TVZ | 0.9058 |
33 | ZME | 0.9052 |
34 | 8OB | 0.9049 |
35 | TLF | 0.9045 |
36 | 27M | 0.9045 |
37 | H35 | 0.9044 |
38 | 4GU | 0.9044 |
39 | IKY | 0.9043 |
40 | ID8 | 0.9040 |
41 | ERZ | 0.9039 |
42 | 20D | 0.9029 |
43 | 4NR | 0.9022 |
44 | 1SF | 0.9021 |
45 | 1V1 | 0.9018 |
46 | A4N | 0.9013 |
47 | 3CA | 0.9010 |
48 | A73 | 0.8999 |
49 | VT3 | 0.8998 |
50 | CJZ | 0.8998 |
51 | A8Q | 0.8998 |
52 | 4ZF | 0.8994 |
53 | SQ7 | 0.8994 |
54 | W29 | 0.8991 |
55 | SQ4 | 0.8988 |
56 | 22L | 0.8986 |
57 | ITE | 0.8984 |
58 | E9L | 0.8984 |
59 | AUY | 0.8983 |
60 | A7K | 0.8979 |
61 | M3W | 0.8974 |
62 | DFL | 0.8972 |
63 | 3F4 | 0.8969 |
64 | SZ5 | 0.8967 |
65 | RGK | 0.8966 |
66 | WL3 | 0.8965 |
67 | SQP | 0.8963 |
68 | A4B | 0.8961 |
69 | IQW | 0.8958 |
70 | YE6 | 0.8956 |
71 | TCL | 0.8956 |
72 | CMG | 0.8955 |
73 | 72G | 0.8953 |
74 | KW7 | 0.8949 |
75 | NE2 | 0.8947 |
76 | 2UV | 0.8945 |
77 | J47 | 0.8943 |
78 | NAR | 0.8941 |
79 | 25F | 0.8940 |
80 | THM | 0.8939 |
81 | 5E4 | 0.8935 |
82 | 50C | 0.8935 |
83 | H2W | 0.8934 |
84 | BX4 | 0.8932 |
85 | B23 | 0.8930 |
86 | 1UZ | 0.8929 |
87 | JD7 | 0.8927 |
88 | 8OE | 0.8924 |
89 | Q0K | 0.8919 |
90 | 3D8 | 0.8918 |
91 | CDJ | 0.8916 |
92 | QC1 | 0.8916 |
93 | B21 | 0.8916 |
94 | LOT | 0.8914 |
95 | 8MP | 0.8912 |
96 | M3E | 0.8908 |
97 | WCU | 0.8907 |
98 | HO6 | 0.8907 |
99 | X29 | 0.8902 |
100 | W8L | 0.8901 |
101 | GN6 | 0.8899 |
102 | AJD | 0.8897 |
103 | K80 | 0.8897 |
104 | BPY | 0.8893 |
105 | AGI | 0.8892 |
106 | SOJ | 0.8891 |
107 | 0SY | 0.8889 |
108 | BP3 | 0.8889 |
109 | BQ5 | 0.8888 |
110 | GAT | 0.8882 |
111 | KHP | 0.8882 |
112 | BNY | 0.8881 |
113 | UN4 | 0.8880 |
114 | A4T | 0.8878 |
115 | 3WK | 0.8876 |
116 | CP6 | 0.8875 |
117 | 2WU | 0.8875 |
118 | U13 | 0.8873 |
119 | 42R | 0.8871 |
120 | 72E | 0.8871 |
121 | JAH | 0.8871 |
122 | 25O | 0.8871 |
123 | 5P3 | 0.8869 |
124 | LVY | 0.8864 |
125 | 7ZO | 0.8860 |
126 | OJ7 | 0.8859 |
127 | 1HP | 0.8859 |
128 | S98 | 0.8857 |
129 | 08C | 0.8853 |
130 | WA2 | 0.8851 |
131 | 7ZL | 0.8850 |
132 | PQM | 0.8848 |
133 | BZE | 0.8848 |
134 | 5B2 | 0.8848 |
135 | B4O | 0.8845 |
136 | MZR | 0.8845 |
137 | 7L4 | 0.8837 |
138 | ZRK | 0.8829 |
139 | FNA | 0.8828 |
140 | 8G6 | 0.8828 |
141 | LLG | 0.8826 |
142 | ZIP | 0.8825 |
143 | 3JC | 0.8824 |
144 | URI | 0.8823 |
145 | 1KN | 0.8820 |
146 | 5FL | 0.8819 |
147 | ZRL | 0.8818 |
148 | 7FZ | 0.8817 |
149 | FB4 | 0.8816 |
150 | 27F | 0.8812 |
151 | 55D | 0.8812 |
152 | MUK | 0.8807 |
153 | 47V | 0.8806 |
154 | MBP | 0.8804 |
155 | A4Q | 0.8804 |
156 | DL6 | 0.8800 |
157 | AVX | 0.8794 |
158 | MR6 | 0.8793 |
159 | WLH | 0.8793 |
160 | 5F8 | 0.8791 |
161 | 40W | 0.8790 |
162 | EMU | 0.8789 |
163 | JFZ | 0.8785 |
164 | JNW | 0.8784 |
165 | BBY | 0.8783 |
166 | FC2 | 0.8781 |
167 | BXZ | 0.8781 |
168 | 0HZ | 0.8781 |
169 | DKZ | 0.8778 |
170 | FC3 | 0.8778 |
171 | 5AD | 0.8777 |
172 | WVV | 0.8776 |
173 | 16Z | 0.8773 |
174 | 4FF | 0.8770 |
175 | F18 | 0.8770 |
176 | DKX | 0.8768 |
177 | 0OY | 0.8768 |
178 | 3N0 | 0.8767 |
179 | AVA | 0.8766 |
180 | 0K7 | 0.8764 |
181 | PCQ | 0.8759 |
182 | CJB | 0.8759 |
183 | FCD | 0.8758 |
184 | AUV | 0.8758 |
185 | HRM | 0.8757 |
186 | 697 | 0.8757 |
187 | BP7 | 0.8756 |
188 | 28B | 0.8755 |
189 | LI4 | 0.8753 |
190 | C0H | 0.8752 |
191 | 92G | 0.8752 |
192 | 4F8 | 0.8750 |
193 | XYP XIF | 0.8749 |
194 | XIF XYP | 0.8749 |
195 | CC5 | 0.8747 |
196 | H4B | 0.8747 |
197 | EZB | 0.8746 |
198 | 4EU | 0.8744 |
199 | TRP | 0.8743 |
200 | NKI | 0.8743 |
201 | XYP XYP | 0.8742 |
202 | XDK | 0.8742 |
203 | 5WT | 0.8741 |
204 | 57D | 0.8739 |
205 | FHV | 0.8735 |
206 | XDL XYP | 0.8732 |
207 | VIB | 0.8728 |
208 | TVC | 0.8726 |
209 | FT3 | 0.8725 |
210 | 977 | 0.8723 |
211 | DUR | 0.8721 |
212 | NE1 | 0.8720 |
213 | PQS | 0.8720 |
214 | ONZ | 0.8720 |
215 | KWB | 0.8720 |
216 | EQW | 0.8719 |
217 | D64 | 0.8718 |
218 | EAT | 0.8718 |
219 | 4FP | 0.8718 |
220 | C0W | 0.8716 |
221 | 555 | 0.8714 |
222 | NW1 | 0.8714 |
223 | X48 | 0.8714 |
224 | 8BD | 0.8713 |
225 | WDW | 0.8712 |
226 | FMQ | 0.8710 |
227 | BIE | 0.8709 |
228 | KYN | 0.8706 |
229 | 54E | 0.8703 |
230 | 6P3 | 0.8702 |
231 | DFV | 0.8701 |
232 | S1C | 0.8701 |
233 | H70 | 0.8697 |
234 | Y70 | 0.8694 |
235 | FT1 | 0.8694 |
236 | KTJ | 0.8694 |
237 | GAL PHB | 0.8693 |
238 | MR4 | 0.8692 |
239 | 4L2 | 0.8691 |
240 | TI7 | 0.8690 |
241 | 3IL | 0.8689 |
242 | 53X | 0.8687 |
243 | OA1 | 0.8687 |
244 | 9UL | 0.8686 |
245 | CTN | 0.8677 |
246 | C82 | 0.8677 |
247 | C9M | 0.8676 |
248 | 56N | 0.8676 |
249 | FSU | 0.8675 |
250 | H2B | 0.8673 |
251 | KP2 | 0.8673 |
252 | 0XR | 0.8673 |
253 | MIL | 0.8672 |
254 | 1Q4 | 0.8671 |
255 | 2TU | 0.8668 |
256 | 801 | 0.8667 |
257 | FT2 | 0.8666 |
258 | 5TT | 0.8666 |
259 | TJM | 0.8665 |
260 | LJ3 | 0.8665 |
261 | KMP | 0.8665 |
262 | B4L | 0.8663 |
263 | 2B4 | 0.8663 |
264 | PP1 | 0.8660 |
265 | 5AE | 0.8658 |
266 | U55 | 0.8653 |
267 | AJ4 | 0.8653 |
268 | TCW | 0.8651 |
269 | C53 | 0.8646 |
270 | DTR | 0.8645 |
271 | L3L | 0.8645 |
272 | 7I2 | 0.8642 |
273 | 0DF | 0.8641 |
274 | DBE | 0.8641 |
275 | CWE | 0.8637 |
276 | JA3 | 0.8637 |
277 | Q92 | 0.8636 |
278 | LMZ | 0.8636 |
279 | OSP | 0.8635 |
280 | GZ2 | 0.8632 |
281 | HNH | 0.8631 |
282 | 72D | 0.8630 |
283 | 2JX | 0.8622 |
284 | LU2 | 0.8621 |
285 | NIY | 0.8617 |
286 | 9JT | 0.8617 |
287 | 4Z9 | 0.8616 |
288 | JVQ | 0.8614 |
289 | GEN | 0.8613 |
290 | 4AB | 0.8613 |
291 | H75 | 0.8607 |
292 | LTN | 0.8607 |
293 | 1XS | 0.8606 |
294 | FHC | 0.8606 |
295 | TH1 | 0.8606 |
296 | EUN | 0.8605 |
297 | IMK | 0.8605 |
298 | HBI | 0.8604 |
299 | 78U | 0.8604 |
300 | BHS | 0.8603 |
301 | B2T | 0.8602 |
302 | PP2 | 0.8600 |
303 | KS5 | 0.8599 |
304 | YEX | 0.8597 |
305 | CBQ | 0.8597 |
306 | FLF | 0.8597 |
307 | 5VU | 0.8594 |
308 | UAY | 0.8593 |
309 | 5O6 | 0.8591 |
310 | CK2 | 0.8589 |
311 | 69K | 0.8589 |
312 | PBQ | 0.8588 |
313 | KLV | 0.8588 |
314 | 1Q1 | 0.8586 |
315 | M2E | 0.8585 |
316 | 7EH | 0.8583 |
317 | FF2 | 0.8579 |
318 | 2JM | 0.8577 |
319 | QTD | 0.8574 |
320 | 2LX | 0.8571 |
321 | R4E | 0.8570 |
322 | TOH | 0.8568 |
323 | KLS | 0.8557 |
324 | 2GD | 0.8557 |
325 | P2L | 0.8548 |
326 | CHQ | 0.8547 |
327 | GPK | 0.8543 |
328 | 683 | 0.8535 |
329 | 205 | 0.8534 |
330 | 9FG | 0.8532 |
331 | DK4 | 0.8531 |
332 | 1FE | 0.8513 |