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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 197 families. | |||||
1 | 1ZNH | - | OC9 | C8 H18 O | CCCCCCCCO |
2 | 1JV4 | - | TZL | C7 H11 N S | CC[C@@H](C.... |
3 | 1ZNE | - | HE2 | C6 H14 O | CCCCCCO |
4 | 1ZNL | - | DE1 | C10 H22 O | CCCCCCCCCC.... |
5 | 2DM5 | Kd = 1011.8 uM | ODI | C8 H18 O2 | C(CCCCO)CC.... |
6 | 1QY1 | Kd = 0.3 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
7 | 1ZND | - | PE9 | C5 H12 O | CCCCCO |
8 | 1ZNG | - | HE4 | C7 H16 O | CCCCCCCO |
9 | 1QY2 | Kd = 1.8 uM | IPZ | C8 H12 N2 O | CC(C)c1c(n.... |
10 | 2NND | Kd = 0.87 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
11 | 1MUP | - | TZL | C7 H11 N S | CC[C@@H](C.... |
12 | 1YP6 | Kd = 0.47 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
13 | 3KFG | - | HTX | C7 H14 O | CCCCCC(=O).... |
14 | 3KFI | - | 25R | C6 H8 N2 | Cc1cnc(cn1.... |
15 | 3KFF | - | XBT | C7 H13 N S | CC[C@@H](C.... |
16 | 3KFH | - | 2EH | C8 H18 O | CCCC[C@H](.... |
17 | 1I06 | - | TZL | C7 H11 N S | CC[C@@H](C.... |
18 | 1I05 | - | LTL | C8 H16 O2 | CCC(=O)CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 1PBO | - | SES | C10 H18 N2 Se | CCCCc1c([s.... |
2 | 1G85 | Kd = 3.3 uM | 3OL | C8 H16 O | CCCCC[C@H].... |
3 | 1GT4 | Kd = 0.3 uM | UNA | C11 H22 O | CCCCCCCCCC.... |
4 | 1GT1 | Kd = 1.2 uM | 3OM | C8 H16 O | CCCCC[C@@H.... |
5 | 2HLV | - | LIK | C12 H20 O2 | CCCCC(=C)C.... |
6 | 1GT3 | Kd = 1.2 uM | 3OM | C8 H16 O | CCCCC[C@@H.... |
7 | 1GT5 | Kd = 0.8 uM | BZQ | C13 H10 O | c1ccc(cc1).... |
8 | 1HN2 | Kd = 3.3 uM | 3OL | C8 H16 O | CCCCC[C@H].... |
9 | 1JV4 | - | TZL | C7 H11 N S | CC[C@@H](C.... |
10 | 1ZNE | - | HE2 | C6 H14 O | CCCCCCO |
11 | 1ZNL | - | DE1 | C10 H22 O | CCCCCCCCCC.... |
12 | 2DM5 | Kd = 1011.8 uM | ODI | C8 H18 O2 | C(CCCCO)CC.... |
13 | 1QY1 | Kd = 0.3 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
14 | 1ZND | - | PE9 | C5 H12 O | CCCCCO |
15 | 1ZNG | - | HE4 | C7 H16 O | CCCCCCCO |
16 | 1QY2 | Kd = 1.8 uM | IPZ | C8 H12 N2 O | CC(C)c1c(n.... |
17 | 2NND | Kd = 0.87 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
18 | 1MUP | - | TZL | C7 H11 N S | CC[C@@H](C.... |
19 | 1YP6 | Kd = 0.47 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
20 | 3KFG | - | HTX | C7 H14 O | CCCCCC(=O).... |
21 | 3KFI | - | 25R | C6 H8 N2 | Cc1cnc(cn1.... |
22 | 3KFF | - | XBT | C7 H13 N S | CC[C@@H](C.... |
23 | 3KFH | - | 2EH | C8 H18 O | CCCC[C@H](.... |
24 | 1HQP | - | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
25 | 1DZP | ic50 = 3.6 uM | BZQ | C13 H10 O | c1ccc(cc1).... |
26 | 1E00 | ic50 = 0.8 uM | DHM | C10 H20 O | C[C@H](CCC.... |
27 | 1E06 | ic50 = 2.5 uM | IPB | C10 H14 O | Cc1ccc(c(c.... |
28 | 1DZJ | ic50 = 1.3 uM | SES | C10 H18 N2 Se | CCCCc1c([s.... |
29 | 1DZM | ic50 = 3.9 uM | BZM | C14 H12 O2 | c1ccc(cc1).... |
30 | 1E02 | ic50 = 0.7 uM | UNA | C11 H22 O | CCCCCCCCCC.... |
31 | 1DZK | Kd = 0.8 uM | PRZ | C9 H14 N2 O | CC(C)Cc1c(.... |
32 | 1I05 | - | LTL | C8 H16 O2 | CCC(=O)CCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LTL | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PGH | 0.9955 |
2 | G3P | 0.9939 |
3 | 13P | 0.9880 |
4 | GP9 | 0.9865 |
5 | G3H | 0.9862 |
6 | 1GP | 0.9827 |
7 | 129 | 0.9754 |
8 | SEP | 0.9714 |
9 | 3PG | 0.9653 |
10 | 4LR | 0.9610 |
11 | X1S | 0.9600 |
12 | PGA | 0.9564 |
13 | PSE | 0.9523 |
14 | HPV | 0.9518 |
15 | SPV | 0.9493 |
16 | GLU | 0.9488 |
17 | GPJ | 0.9475 |
18 | PEP | 0.9447 |
19 | OKG | 0.9436 |
20 | 1SH | 0.9427 |
21 | AT3 | 0.9423 |
22 | CYX | 0.9407 |
23 | GPF | 0.9405 |
24 | GLY GLY | 0.9405 |
25 | CCD | 0.9402 |
26 | 1SA | 0.9373 |
27 | MSL | 0.9361 |
28 | HG3 | 0.9354 |
29 | IP8 | 0.9353 |
30 | NM3 | 0.9348 |
31 | CCE | 0.9345 |
32 | 8K2 | 0.9333 |
33 | MUC | 0.9331 |
34 | 9J3 | 0.9324 |
35 | PPR | 0.9310 |
36 | SIN | 0.9307 |
37 | OGA | 0.9304 |
38 | RTK | 0.9300 |
39 | AKG | 0.9291 |
40 | 3PP | 0.9278 |
41 | QMP | 0.9269 |
42 | FUM | 0.9266 |
43 | 0V5 | 0.9260 |
44 | GLN | 0.9256 |
45 | GZ3 | 0.9251 |
46 | LMR | 0.9251 |
47 | 9GB | 0.9250 |
48 | E4P | 0.9246 |
49 | 7BC | 0.9240 |
50 | TSU | 0.9235 |
51 | S2G | 0.9229 |
52 | CHH | 0.9226 |
53 | 9ON | 0.9220 |
54 | 1DV | 0.9220 |
55 | 4MV | 0.9217 |
56 | KVV | 0.9216 |
57 | 2CO | 0.9215 |
58 | 3YP | 0.9207 |
59 | DQY | 0.9206 |
60 | XYL | 0.9196 |
61 | 152 | 0.9195 |
62 | XLS | 0.9193 |
63 | OSE | 0.9192 |
64 | DGL | 0.9181 |
65 | 5FX | 0.9180 |
66 | AMS | 0.9178 |
67 | HSO | 0.9161 |
68 | 2HG | 0.9152 |
69 | HIS | 0.9150 |
70 | MEQ | 0.9147 |
71 | NF3 | 0.9145 |
72 | GUA | 0.9145 |
73 | EOU | 0.9141 |
74 | KQY | 0.9138 |
75 | FOM | 0.9131 |
76 | OPE | 0.9129 |
77 | ACH | 0.9127 |
78 | LUQ | 0.9127 |
79 | 3S5 | 0.9123 |
80 | HX2 | 0.9117 |
81 | PC | 0.9110 |
82 | MHN | 0.9106 |
83 | SD4 | 0.9098 |
84 | URP | 0.9091 |
85 | 3OL | 0.9091 |
86 | 3OM | 0.9091 |
87 | PEQ | 0.9090 |
88 | 4J8 | 0.9088 |
89 | HPN | 0.9082 |
90 | 2IT | 0.9080 |
91 | AG2 | 0.9079 |
92 | 3SL | 0.9077 |
93 | BHH | 0.9077 |
94 | SAN | 0.9073 |
95 | MLT | 0.9073 |
96 | FBW | 0.9065 |
97 | TPO | 0.9063 |
98 | AL0 | 0.9063 |
99 | M4S | 0.9061 |
100 | ONL | 0.9055 |
101 | PLU | 0.9052 |
102 | DE5 | 0.9052 |
103 | N6C | 0.9052 |
104 | KMH | 0.9051 |
105 | 1X4 | 0.9050 |
106 | ASN | 0.9046 |
107 | HGA | 0.9045 |
108 | URO | 0.9035 |
109 | A20 | 0.9034 |
110 | FB2 | 0.9033 |
111 | DHM | 0.9028 |
112 | 6NA | 0.9024 |
113 | IXW | 0.9023 |
114 | RB5 | 0.9013 |
115 | ASP | 0.9010 |
116 | 7OD | 0.9008 |
117 | SHF | 0.9006 |
118 | H95 | 0.9005 |
119 | DIR | 0.8995 |
120 | RNS | 0.8993 |
121 | LYS | 0.8989 |
122 | DGN | 0.8988 |
123 | DLY | 0.8987 |
124 | MPH | 0.8987 |
125 | 650 | 0.8986 |
126 | DAV | 0.8979 |
127 | NMG | 0.8979 |
128 | HTX | 0.8975 |
129 | PG0 | 0.8973 |
130 | FBS | 0.8971 |
131 | GGL | 0.8970 |
132 | 5XA | 0.8969 |
133 | ONH | 0.8969 |
134 | NLP | 0.8963 |
135 | 0VT | 0.8955 |
136 | HL5 | 0.8952 |
137 | PMB | 0.8950 |
138 | OAA | 0.8948 |
139 | DHI | 0.8943 |
140 | LYN | 0.8941 |
141 | KDG | 0.8938 |
142 | OEG | 0.8938 |
143 | SOL | 0.8938 |
144 | K6H | 0.8933 |
145 | HBU | 0.8932 |
146 | ACA | 0.8932 |
147 | DZA | 0.8922 |
148 | 2FT | 0.8921 |
149 | SHV | 0.8917 |
150 | SOR | 0.8910 |
151 | R67 | 0.8909 |
152 | ORN | 0.8909 |
153 | LFC | 0.8908 |
154 | R9M | 0.8907 |
155 | MHO | 0.8899 |
156 | MED | 0.8894 |
157 | TEO | 0.8891 |
158 | J9N | 0.8887 |
159 | GVM | 0.8885 |
160 | PIM | 0.8885 |
161 | SME | 0.8884 |
162 | KVP | 0.8883 |
163 | MTL | 0.8880 |
164 | I38 | 0.8880 |
165 | PO6 | 0.8878 |
166 | FOC | 0.8878 |
167 | PSJ | 0.8878 |
168 | X0V | 0.8875 |
169 | 7WG | 0.8871 |
170 | MET | 0.8869 |
171 | 7C3 | 0.8866 |
172 | ZBT | 0.8862 |
173 | O45 | 0.8862 |
174 | TZL | 0.8860 |
175 | 1HS | 0.8856 |
176 | G2H | 0.8854 |
177 | TPA | 0.8854 |
178 | DA4 | 0.8854 |
179 | FK8 | 0.8854 |
180 | XRG | 0.8852 |
181 | 0L1 | 0.8851 |
182 | XCZ | 0.8847 |
183 | TCA | 0.8846 |
184 | ISZ | 0.8846 |
185 | NM2 | 0.8845 |
186 | GLO | 0.8844 |
187 | FCR | 0.8841 |
188 | X1R | 0.8837 |
189 | DER | 0.8836 |
190 | HMS | 0.8834 |
191 | Q07 | 0.8833 |
192 | XIZ | 0.8833 |
193 | GWM | 0.8827 |
194 | ALA ALA | 0.8826 |
195 | R20 | 0.8826 |
196 | FEH | 0.8825 |
197 | OOG | 0.8824 |
198 | 49F | 0.8821 |
199 | 16D | 0.8818 |
200 | DAL DAL | 0.8815 |
201 | AAS | 0.8813 |
202 | 4JC | 0.8812 |
203 | 8EW | 0.8812 |
204 | NLE | 0.8807 |
205 | TIH | 0.8807 |
206 | 9X6 | 0.8807 |
207 | DAS | 0.8805 |
208 | KPC | 0.8804 |
209 | 4SX | 0.8803 |
210 | L5V | 0.8803 |
211 | DPN | 0.8802 |
212 | FBJ | 0.8801 |
213 | 6TZ | 0.8801 |
214 | DXP | 0.8800 |
215 | Q9Z | 0.8800 |
216 | VKC | 0.8799 |
217 | SDD | 0.8799 |
218 | 6JN | 0.8796 |
219 | K6V | 0.8794 |
220 | 98J | 0.8793 |
221 | HPS | 0.8788 |
222 | SYM | 0.8786 |
223 | MAJ | 0.8773 |
224 | KMT | 0.8772 |
225 | HQJ | 0.8771 |
226 | FBM | 0.8770 |
227 | ZGL | 0.8766 |
228 | F9P | 0.8761 |
229 | OCT | 0.8760 |
230 | UN1 | 0.8760 |
231 | EVF | 0.8759 |
232 | EKZ | 0.8758 |
233 | CFI | 0.8758 |
234 | PIY | 0.8757 |
235 | 3LR | 0.8755 |
236 | CCU | 0.8754 |
237 | OCA | 0.8751 |
238 | PHE | 0.8745 |
239 | BHO | 0.8739 |
240 | AHN | 0.8736 |
241 | RNT | 0.8736 |
242 | MPV | 0.8733 |
243 | NIZ | 0.8733 |
244 | BHL | 0.8732 |
245 | 8GL | 0.8729 |
246 | I1E | 0.8727 |
247 | MES | 0.8724 |
248 | RB0 | 0.8720 |
249 | FQI | 0.8720 |
250 | 3BU | 0.8720 |
251 | F4E | 0.8719 |
252 | AOS | 0.8718 |
253 | PPY | 0.8714 |
254 | 7UC | 0.8713 |
255 | 3HG | 0.8709 |
256 | K34 | 0.8706 |
257 | GOJ | 0.8706 |
258 | IWT | 0.8701 |
259 | 36E | 0.8697 |
260 | P22 | 0.8696 |
261 | NSB | 0.8691 |
262 | MLZ | 0.8689 |
263 | DYT | 0.8688 |
264 | 2RH | 0.8688 |
265 | GLY ALA | 0.8688 |
266 | TIU | 0.8687 |
267 | NSD | 0.8686 |
268 | 2EH | 0.8674 |
269 | DYA | 0.8670 |
270 | IFP | 0.8669 |
271 | 7VP | 0.8668 |
272 | TAG | 0.8665 |
273 | HIC | 0.8655 |
274 | FUD | 0.8653 |
275 | B40 | 0.8649 |
276 | LPK | 0.8648 |
277 | HX4 | 0.8645 |
278 | B3U | 0.8645 |
279 | 2F6 | 0.8641 |
280 | HF2 | 0.8631 |
281 | RP3 | 0.8628 |
282 | RAT | 0.8608 |
283 | 258 | 0.8601 |
284 | 2JJ | 0.8586 |
285 | PKU | 0.8580 |
286 | CS2 | 0.8574 |
287 | 4TB | 0.8568 |
288 | Q06 | 0.8560 |
289 | SSB | 0.8559 |
290 | SHO | 0.8558 |
291 | 5WZ | 0.8558 |
292 | EDR | 0.8551 |
293 | HHI | 0.8548 |
294 | 0CG | 0.8537 |
295 | CXP | 0.8535 |
This union binding pocket(no: 1) in the query (biounit: 1i06.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1DZK | PRZ | 47.7707 |
2 | 1DZK | PRZ | 47.7707 |