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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 | 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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GBN | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CCB | 0.9407 |
2 | FLC | 0.9307 |
3 | 8OZ | 0.9291 |
4 | SMN | 0.9290 |
5 | CIT | 0.9289 |
6 | 9RW | 0.9274 |
7 | FA1 | 0.9247 |
8 | 0OC | 0.9189 |
9 | 173 | 0.9170 |
10 | ICT | 0.9162 |
11 | HIS | 0.9161 |
12 | MNN | 0.9126 |
13 | PPY | 0.9104 |
14 | 7Q1 | 0.9103 |
15 | 23J | 0.9102 |
16 | LFC | 0.9099 |
17 | RAT | 0.9093 |
18 | JRB | 0.9092 |
19 | 92K | 0.9091 |
20 | 97T | 0.9087 |
21 | JF6 | 0.9082 |
22 | TLA | 0.9081 |
23 | NCD | 0.9080 |
24 | Q03 | 0.9080 |
25 | RNT | 0.9072 |
26 | 1DJ | 0.9071 |
27 | 5XB | 0.9061 |
28 | C5A | 0.9052 |
29 | RNS | 0.9050 |
30 | HHH | 0.9050 |
31 | RUY | 0.9046 |
32 | 52C | 0.9044 |
33 | NFQ | 0.9042 |
34 | GVG | 0.9034 |
35 | 6JN | 0.9029 |
36 | 269 | 0.9027 |
37 | PMF | 0.9025 |
38 | MXN | 0.9021 |
39 | J9Q | 0.9020 |
40 | LNO | 0.9019 |
41 | 9RH | 0.9015 |
42 | 8EZ | 0.9010 |
43 | FA3 | 0.9010 |
44 | FEH | 0.9007 |
45 | TT4 | 0.9001 |
46 | NCT | 0.9000 |
47 | F69 | 0.8995 |
48 | 791 | 0.8990 |
49 | 7QS | 0.8985 |
50 | DYT | 0.8984 |
51 | QIC | 0.8983 |
52 | Z5P | 0.8980 |
53 | K7M | 0.8978 |
54 | A9P | 0.8978 |
55 | TRC | 0.8975 |
56 | MAH | 0.8975 |
57 | A29 | 0.8973 |
58 | RMN | 0.8970 |
59 | 3AL | 0.8964 |
60 | 3CR | 0.8961 |
61 | A09 | 0.8961 |
62 | KDG | 0.8958 |
63 | SYM | 0.8958 |
64 | DAL DAL | 0.8957 |
65 | 1XA | 0.8957 |
66 | 256 | 0.8955 |
67 | 8EW | 0.8954 |
68 | Q02 | 0.8949 |
69 | HCI | 0.8947 |
70 | 3MF | 0.8943 |
71 | TAR | 0.8942 |
72 | GRO | 0.8941 |
73 | SOR | 0.8940 |
74 | BHO | 0.8938 |
75 | 4RW | 0.8930 |
76 | DPN | 0.8928 |
77 | AHB | 0.8920 |
78 | M72 | 0.8914 |
79 | 152 | 0.8911 |
80 | 4P5 | 0.8910 |
81 | SRT | 0.8908 |
82 | 2FT | 0.8907 |
83 | FOC | 0.8904 |
84 | TIU | 0.8903 |
85 | ZXD | 0.8903 |
86 | DHS | 0.8902 |
87 | DS0 | 0.8901 |
88 | GCO | 0.8897 |
89 | 4WL | 0.8896 |
90 | SYC | 0.8893 |
91 | MLT | 0.8889 |
92 | AL0 | 0.8888 |
93 | 7N0 | 0.8886 |
94 | K6H | 0.8882 |
95 | 6XI | 0.8882 |
96 | 2PG | 0.8881 |
97 | GLO | 0.8880 |
98 | PHU | 0.8880 |
99 | 7A2 | 0.8878 |
100 | ROR | 0.8877 |
101 | GLN | 0.8876 |
102 | BNL | 0.8876 |
103 | LMR | 0.8876 |
104 | M4T | 0.8874 |
105 | IFL | 0.8872 |
106 | M5E | 0.8869 |
107 | XUL | 0.8869 |
108 | FUD | 0.8868 |
109 | AKG | 0.8867 |
110 | HL5 | 0.8861 |
111 | HPS | 0.8859 |
112 | OEM | 0.8853 |
113 | PHE | 0.8851 |
114 | TPO | 0.8850 |
115 | M74 | 0.8850 |
116 | 4VY | 0.8850 |
117 | QUS | 0.8848 |
118 | LEU | 0.8847 |
119 | 5HY | 0.8846 |
120 | DHB | 0.8846 |
121 | 2AL | 0.8845 |
122 | CS2 | 0.8844 |
123 | ASP | 0.8843 |
124 | DC5 | 0.8841 |
125 | QMP | 0.8836 |
126 | L13 | 0.8828 |
127 | AOS | 0.8826 |
128 | 7A3 | 0.8825 |
129 | CLT | 0.8825 |
130 | 2AS | 0.8823 |
131 | DQA | 0.8823 |
132 | 2HO | 0.8821 |
133 | OGA | 0.8820 |
134 | 2TQ | 0.8820 |
135 | 1WC | 0.8818 |
136 | GZQ | 0.8816 |
137 | TZL | 0.8816 |
138 | TYL | 0.8816 |
139 | 0HO | 0.8813 |
140 | 4NG | 0.8811 |
141 | JYD | 0.8811 |
142 | MTL | 0.8811 |
143 | 1AL | 0.8810 |
144 | DOB | 0.8810 |
145 | CFI | 0.8807 |
146 | MUC | 0.8806 |
147 | FBM | 0.8805 |
148 | SDD | 0.8802 |
149 | INO | 0.8802 |
150 | URS | 0.8801 |
151 | 4PN | 0.8801 |
152 | 6NT | 0.8797 |
153 | M3H | 0.8795 |
154 | BZ2 | 0.8791 |
155 | DMJ | 0.8788 |
156 | 41K | 0.8788 |
157 | FA0 | 0.8788 |
158 | OMD | 0.8785 |
159 | XSP | 0.8784 |
160 | XQB | 0.8784 |
161 | A9O | 0.8784 |
162 | PSJ | 0.8783 |
163 | MEV | 0.8783 |
164 | 98J | 0.8783 |
165 | CXP | 0.8782 |
166 | JZA | 0.8781 |
167 | 0QW | 0.8780 |
168 | PRZ | 0.8780 |
169 | MLE | 0.8779 |
170 | BPS | 0.8777 |
171 | SF9 | 0.8775 |
172 | GAL | 0.8774 |
173 | ICO | 0.8774 |
174 | CHB | 0.8773 |
175 | PIM | 0.8773 |
176 | DGL | 0.8772 |
177 | ASN | 0.8771 |
178 | 46P | 0.8771 |
179 | ISZ | 0.8768 |
180 | J9T | 0.8768 |
181 | XIY | 0.8766 |
182 | 0V5 | 0.8764 |
183 | XYH | 0.8762 |
184 | 2ZM | 0.8761 |
185 | ICF | 0.8761 |
186 | GLU | 0.8760 |
187 | B2Y | 0.8760 |
188 | SOL | 0.8760 |
189 | PBA | 0.8755 |
190 | PZI | 0.8755 |
191 | XLS | 0.8753 |
192 | IPM | 0.8752 |
193 | CH9 | 0.8751 |
194 | X8Z | 0.8748 |
195 | 93K | 0.8747 |
196 | 3BU | 0.8745 |
197 | MNM | 0.8745 |
198 | HQJ | 0.8743 |
199 | MSR | 0.8741 |
200 | 4NC | 0.8739 |
201 | BDP | 0.8739 |
202 | 4ZA | 0.8739 |
203 | HBU | 0.8738 |
204 | QY9 | 0.8738 |
205 | 7UC | 0.8737 |
206 | XYL | 0.8736 |
207 | 263 | 0.8735 |
208 | HF2 | 0.8735 |
209 | 5CU | 0.8735 |
210 | 3A9 | 0.8735 |
211 | FSG | 0.8734 |
212 | 3PG | 0.8734 |
213 | 3YP | 0.8733 |
214 | AOT | 0.8733 |
215 | 0HN | 0.8732 |
216 | AHR | 0.8732 |
217 | 1F1 | 0.8731 |
218 | I38 | 0.8730 |
219 | BNF | 0.8729 |
220 | PIY | 0.8729 |
221 | PAC | 0.8728 |
222 | MFU | 0.8726 |
223 | HIO | 0.8725 |
224 | GLA | 0.8725 |
225 | CXF | 0.8725 |
226 | B85 | 0.8724 |
227 | SAF | 0.8722 |
228 | SEP | 0.8721 |
229 | DHI | 0.8714 |
230 | COI | 0.8713 |
231 | HDL | 0.8710 |
232 | 4M0 | 0.8707 |
233 | PO6 | 0.8706 |
234 | PEP | 0.8705 |
235 | ESP | 0.8705 |
236 | 3NY | 0.8704 |
237 | SVD | 0.8703 |
238 | 9SE | 0.8703 |
239 | FCR | 0.8703 |
240 | ABI | 0.8702 |
241 | 5RN | 0.8702 |
242 | NIZ | 0.8702 |
243 | KTA | 0.8697 |
244 | MYJ | 0.8697 |
245 | 8VN | 0.8697 |
246 | SWA | 0.8696 |
247 | QDK | 0.8696 |
248 | R1P | 0.8694 |
249 | BCK | 0.8693 |
250 | LNR | 0.8693 |
251 | FK8 | 0.8692 |
252 | QBS | 0.8691 |
253 | HYA | 0.8690 |
254 | MES | 0.8689 |
255 | RBL | 0.8689 |
256 | BHA | 0.8688 |
257 | I4B | 0.8684 |
258 | OAF | 0.8683 |
259 | 5VL | 0.8683 |
260 | 9TW | 0.8683 |
261 | PSV | 0.8683 |
262 | 069 | 0.8681 |
263 | QSB | 0.8680 |
264 | FF3 | 0.8680 |
265 | GIV | 0.8679 |
266 | P9P | 0.8679 |
267 | 6FZ | 0.8677 |
268 | 4P0 | 0.8676 |
269 | DIG | 0.8674 |
270 | 2H5 | 0.8668 |
271 | F9P | 0.8668 |
272 | T9G | 0.8662 |
273 | PJW | 0.8660 |
274 | OAA | 0.8660 |
275 | HFA | 0.8659 |
276 | AVJ | 0.8656 |
277 | N4B | 0.8656 |
278 | TSU | 0.8656 |
279 | HDH | 0.8655 |
280 | DII | 0.8653 |
281 | RB0 | 0.8653 |
282 | 1U5 | 0.8653 |
283 | GGL | 0.8652 |
284 | 60Q | 0.8651 |
285 | GLY ASP | 0.8649 |
286 | AVI | 0.8649 |
287 | ISD | 0.8648 |
288 | ASC | 0.8647 |
289 | GTC | 0.8646 |
290 | XEN | 0.8645 |
291 | GJZ | 0.8643 |
292 | PLU | 0.8640 |
293 | 56D | 0.8639 |
294 | BGC | 0.8636 |
295 | 3HP | 0.8634 |
296 | 449 | 0.8634 |
297 | Z6J | 0.8633 |
298 | H62 | 0.8632 |
299 | PMB | 0.8631 |
300 | 4HP | 0.8627 |
301 | R20 | 0.8627 |
302 | H76 | 0.8627 |
303 | NNO | 0.8627 |
304 | 15N | 0.8625 |
305 | S2G | 0.8623 |
306 | 5QY | 0.8622 |
307 | SQ4 | 0.8618 |
308 | 2C2 | 0.8617 |
309 | KJM | 0.8615 |
310 | I1E | 0.8612 |
311 | TPA | 0.8610 |
312 | GCU | 0.8609 |
313 | 2CO | 0.8605 |
314 | CPZ | 0.8605 |
315 | ORN | 0.8604 |
316 | 95Z | 0.8604 |
317 | TIH | 0.8604 |
318 | 3MV | 0.8602 |
319 | L99 | 0.8602 |
320 | GXL | 0.8599 |
321 | 264 | 0.8598 |
322 | PAF | 0.8597 |
323 | DHK | 0.8595 |
324 | 2B4 | 0.8595 |
325 | 61O | 0.8590 |
326 | HQ9 | 0.8590 |
327 | 2FY | 0.8588 |
328 | 5NU | 0.8588 |
329 | 4JT | 0.8584 |
330 | 34V | 0.8584 |
331 | 3C7 | 0.8582 |
332 | 3SL | 0.8582 |
333 | FHB | 0.8580 |
334 | 5NI | 0.8578 |
335 | TAG | 0.8577 |
336 | IXW | 0.8576 |
337 | TTL | 0.8575 |
338 | 6CS | 0.8574 |
339 | M2K | 0.8568 |
340 | SQ7 | 0.8567 |
341 | 8WQ | 0.8567 |
342 | 4CS | 0.8565 |
343 | HY1 | 0.8565 |
344 | JLZ | 0.8565 |
345 | DPF | 0.8563 |
346 | EDR | 0.8563 |
347 | XX2 | 0.8561 |
348 | EKZ | 0.8558 |
349 | 3HM | 0.8555 |
350 | EHM | 0.8545 |
351 | SF6 | 0.8544 |
352 | 0LH | 0.8540 |
353 | SNE | 0.8537 |
354 | DMV | 0.8537 |
355 | RIB | 0.8524 |
356 | PEQ | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 2abj.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2abj.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2abj.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2abj.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |