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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 1 families. | |||||
1 | 1PS6 | - | 4TP | C4 H10 N O7 P | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1PS6 | - | 4TP | C4 H10 N O7 P | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4TP | 1 | 1 |
2 | DER | 0.567568 | 0.829268 |
3 | DEZ | 0.567568 | 0.829268 |
4 | PA5 | 0.525 | 0.829268 |
5 | R10 | 0.525 | 0.829268 |
6 | SEP | 0.513514 | 0.833333 |
7 | 3PG | 0.5 | 0.780488 |
8 | 6PG | 0.5 | 0.829268 |
9 | LG6 | 0.5 | 0.829268 |
10 | HG3 | 0.5 | 0.731707 |
11 | DXP | 0.475 | 0.72093 |
12 | M2P | 0.472222 | 0.761905 |
13 | GOS | 0.472222 | 0.761905 |
14 | 5RP | 0.452381 | 0.75 |
15 | 5SP | 0.452381 | 0.75 |
16 | HMS | 0.452381 | 0.75 |
17 | RUB | 0.44186 | 0.744186 |
18 | AGP | 0.44186 | 0.863636 |
19 | M6R | 0.44186 | 0.863636 |
20 | XBP | 0.44186 | 0.744186 |
21 | RES | 0.44186 | 0.8125 |
22 | E4P | 0.435897 | 0.756098 |
23 | KD0 | 0.434783 | 0.829268 |
24 | 9C2 | 0.434783 | 0.833333 |
25 | F6R | 0.431818 | 0.767442 |
26 | TG6 | 0.431818 | 0.767442 |
27 | A5P | 0.425 | 0.704545 |
28 | LXP | 0.425 | 0.704545 |
29 | LX1 | 0.425 | 0.72093 |
30 | DX5 | 0.425 | 0.704545 |
31 | CAP | 0.416667 | 0.772727 |
32 | 52L | 0.416667 | 0.791667 |
33 | S6P | 0.414634 | 0.72093 |
34 | DG2 | 0.414634 | 0.756098 |
35 | P6F | 0.413043 | 0.785714 |
36 | 2FP | 0.413043 | 0.785714 |
37 | P6T | 0.413043 | 0.785714 |
38 | PAN | 0.413043 | 0.8125 |
39 | I22 | 0.413043 | 0.767442 |
40 | 1NT | 0.403846 | 0.829268 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5OY | 0.9445 |
2 | FOM | 0.9444 |
3 | F98 | 0.9421 |
4 | 1AE | 0.9399 |
5 | SG3 | 0.9366 |
6 | MF3 | 0.9330 |
7 | KPA | 0.9300 |
8 | CUW | 0.9297 |
9 | 2JJ | 0.9261 |
10 | UN1 | 0.9253 |
11 | MAJ | 0.9252 |
12 | OOG | 0.9227 |
13 | 1PS | 0.9213 |
14 | 2FM | 0.9209 |
15 | R5P | 0.9170 |
16 | R52 | 0.9170 |
17 | ATX | 0.9169 |
18 | QFJ | 0.9155 |
19 | ARG | 0.9120 |
20 | LGT | 0.9116 |
21 | RP5 | 0.9111 |
22 | HSA | 0.9110 |
23 | PRO GLY | 0.9097 |
24 | HSX | 0.9093 |
25 | KPC | 0.9092 |
26 | 1X4 | 0.9091 |
27 | 2NP | 0.9070 |
28 | RP3 | 0.9068 |
29 | LUQ | 0.9058 |
30 | 5WN | 0.9057 |
31 | SKF | 0.9051 |
32 | M3L | 0.9044 |
33 | IAC | 0.9043 |
34 | TZP | 0.9040 |
35 | AZM | 0.9040 |
36 | 11C | 0.9029 |
37 | NNH | 0.9028 |
38 | R1P | 0.9024 |
39 | JFM | 0.9020 |
40 | 9YT | 0.9016 |
41 | MZM | 0.9015 |
42 | M3P | 0.9014 |
43 | TX4 | 0.9008 |
44 | DZA | 0.8982 |
45 | ENW | 0.8981 |
46 | MSL | 0.8972 |
47 | DHM | 0.8972 |
48 | HC4 | 0.8965 |
49 | MP5 | 0.8964 |
50 | XRS | 0.8964 |
51 | MES | 0.8954 |
52 | PMV | 0.8950 |
53 | 6HN | 0.8944 |
54 | HPV | 0.8943 |
55 | 5PV | 0.8940 |
56 | F6P | 0.8938 |
57 | EVF | 0.8937 |
58 | BHU | 0.8937 |
59 | Q06 | 0.8934 |
60 | NPI | 0.8926 |
61 | AKG | 0.8923 |
62 | P81 | 0.8923 |
63 | 64Z | 0.8921 |
64 | D5X | 0.8918 |
65 | DED | 0.8916 |
66 | DI6 | 0.8914 |
67 | PHE | 0.8913 |
68 | 5LD | 0.8910 |
69 | TU0 | 0.8908 |
70 | Q9Z | 0.8901 |
71 | HPP | 0.8896 |
72 | 6C9 | 0.8892 |
73 | DLT | 0.8890 |
74 | AHN | 0.8888 |
75 | 1HS | 0.8886 |
76 | TYR | 0.8881 |
77 | TCA | 0.8879 |
78 | PLR | 0.8874 |
79 | 0L1 | 0.8874 |
80 | GO2 | 0.8868 |
81 | N9J | 0.8868 |
82 | LYS | 0.8866 |
83 | DLY | 0.8866 |
84 | RGP | 0.8865 |
85 | IOS | 0.8865 |
86 | PPT | 0.8865 |
87 | DHC | 0.8862 |
88 | DPN | 0.8860 |
89 | 9BF | 0.8859 |
90 | GGB | 0.8857 |
91 | CIR | 0.8853 |
92 | KDG | 0.8852 |
93 | SZ7 | 0.8851 |
94 | LVD | 0.8849 |
95 | 4TB | 0.8849 |
96 | 7OD | 0.8846 |
97 | BGP | 0.8845 |
98 | PBA | 0.8844 |
99 | 6C5 | 0.8843 |
100 | GCO | 0.8843 |
101 | XRX | 0.8840 |
102 | GLR | 0.8840 |
103 | IVL | 0.8838 |
104 | GAE | 0.8837 |
105 | MD6 | 0.8837 |
106 | Z70 | 0.8835 |
107 | API | 0.8835 |
108 | XIZ | 0.8835 |
109 | 650 | 0.8834 |
110 | S0W | 0.8833 |
111 | ILO | 0.8832 |
112 | OGA | 0.8828 |
113 | G6P | 0.8827 |
114 | IPE | 0.8823 |
115 | NLQ | 0.8821 |
116 | KYN | 0.8817 |
117 | TRP | 0.8814 |
118 | IOP | 0.8812 |
119 | HCI | 0.8812 |
120 | GVA | 0.8809 |
121 | 5DL | 0.8807 |
122 | P9E | 0.8800 |
123 | ZZU | 0.8797 |
124 | 26P | 0.8794 |
125 | Q04 | 0.8793 |
126 | DIR | 0.8791 |
127 | DAR | 0.8790 |
128 | B3U | 0.8789 |
129 | GRQ | 0.8789 |
130 | 5GT | 0.8786 |
131 | JOV | 0.8785 |
132 | IAR | 0.8782 |
133 | GZ2 | 0.8780 |
134 | 7UC | 0.8779 |
135 | N2M | 0.8779 |
136 | EUE | 0.8777 |
137 | 1L5 | 0.8777 |
138 | PO6 | 0.8774 |
139 | ABF | 0.8774 |
140 | BGT | 0.8772 |
141 | 8U3 | 0.8769 |
142 | ENO | 0.8769 |
143 | S0E | 0.8769 |
144 | PLP | 0.8764 |
145 | XI7 | 0.8764 |
146 | GRF | 0.8763 |
147 | TB8 | 0.8762 |
148 | LEL | 0.8760 |
149 | EN1 | 0.8755 |
150 | LSQ | 0.8755 |
151 | YIE | 0.8754 |
152 | OSE | 0.8748 |
153 | PML | 0.8747 |
154 | M6P | 0.8744 |
155 | P80 | 0.8744 |
156 | JZA | 0.8743 |
157 | 657 | 0.8742 |
158 | EYV | 0.8740 |
159 | DTY | 0.8732 |
160 | DXG | 0.8728 |
161 | P4F | 0.8728 |
162 | MRU | 0.8728 |
163 | 6J5 | 0.8725 |
164 | 2O6 | 0.8723 |
165 | SME | 0.8723 |
166 | 4R1 | 0.8721 |
167 | GLU | 0.8718 |
168 | SSC | 0.8716 |
169 | 61M | 0.8715 |
170 | STT | 0.8715 |
171 | 6FG | 0.8713 |
172 | DA3 | 0.8713 |
173 | 7C3 | 0.8713 |
174 | X1R | 0.8711 |
175 | ZEC | 0.8711 |
176 | HL4 | 0.8709 |
177 | 8SZ | 0.8705 |
178 | P7Y | 0.8703 |
179 | BSA | 0.8703 |
180 | DHY | 0.8702 |
181 | DTR | 0.8701 |
182 | 3YP | 0.8699 |
183 | 6HO | 0.8695 |
184 | FK8 | 0.8690 |
185 | HAR | 0.8689 |
186 | CXP | 0.8688 |
187 | TOH | 0.8685 |
188 | 2OR | 0.8685 |
189 | STX | 0.8684 |
190 | S8V | 0.8681 |
191 | C82 | 0.8681 |
192 | MLZ | 0.8681 |
193 | 5OO | 0.8678 |
194 | 5DS | 0.8667 |
195 | HXY | 0.8666 |
196 | F90 | 0.8665 |
197 | PBN | 0.8665 |
198 | YTX | 0.8664 |
199 | FER | 0.8661 |
200 | DAH | 0.8660 |
201 | GVM | 0.8660 |
202 | BG6 | 0.8659 |
203 | AHC | 0.8659 |
204 | 363 | 0.8658 |
205 | NMM | 0.8655 |
206 | HPO | 0.8654 |
207 | 4LW | 0.8653 |
208 | 5F5 | 0.8652 |
209 | ACA | 0.8651 |
210 | P93 | 0.8650 |
211 | TSR | 0.8648 |
212 | A6P | 0.8647 |
213 | ZON | 0.8639 |
214 | EQW | 0.8637 |
215 | 3VW | 0.8635 |
216 | REL | 0.8631 |
217 | F06 | 0.8630 |
218 | QUS | 0.8628 |
219 | 4FP | 0.8626 |
220 | R2P | 0.8621 |
221 | 3QO | 0.8621 |
222 | TYC | 0.8618 |
223 | 7MW | 0.8615 |
224 | VM1 | 0.8614 |
225 | PMP | 0.8611 |
226 | HLP | 0.8611 |
227 | PFF | 0.8610 |
228 | 6ZX | 0.8608 |
229 | GLP | 0.8606 |
230 | 36M | 0.8604 |
231 | SYE | 0.8601 |
232 | MHO | 0.8600 |
233 | HCA | 0.8599 |
234 | HGA | 0.8594 |
235 | RKV | 0.8591 |
236 | ENV | 0.8589 |
237 | QMS | 0.8587 |
238 | NF3 | 0.8580 |
239 | LZ5 | 0.8579 |
240 | NFZ | 0.8578 |
241 | HJH | 0.8578 |
242 | 9PL | 0.8576 |
243 | GO8 | 0.8575 |
244 | 4LV | 0.8563 |
245 | HIC | 0.8561 |
246 | PAU | 0.8557 |
247 | TZM | 0.8556 |
248 | LL2 | 0.8547 |
249 | NPA | 0.8545 |
250 | OCA | 0.8541 |
251 | MZT | 0.8540 |
252 | BZQ | 0.8534 |
253 | AG2 | 0.8524 |
254 | HX8 | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 1ps6.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |