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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 2 families. | |||||
1 | 3X26 | - | TAN | C5 H9 N | CC(C)(C)C#.... |
2 | 2ZPH | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
3 | 3A8H | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
4 | 2ZPF | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
5 | 2ZPE | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
6 | 2ZPI | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
7 | 3A8G | - | TAN | C5 H9 N | CC(C)(C)C#.... |
8 | 3WVE | - | TAN | C5 H9 N | CC(C)(C)C#.... |
9 | 2ZPG | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
10 | 3A8O | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
11 | 3A8M | - | TAN | C5 H9 N | CC(C)(C)C#.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3X26 | - | TAN | C5 H9 N | CC(C)(C)C#.... |
2 | 2ZPH | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
3 | 3A8H | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
4 | 2ZPF | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
5 | 2ZPE | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
6 | 2ZPI | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
7 | 3A8G | - | TAN | C5 H9 N | CC(C)(C)C#.... |
8 | 3WVE | - | TAN | C5 H9 N | CC(C)(C)C#.... |
9 | 2ZPG | - | TB0 | C5 H9 N | CC(C)(C)[N.... |
10 | 3A8O | - | TAY | C5 H11 N O | CC(C)(C)C(.... |
11 | 3A8M | - | TAN | C5 H9 N | CC(C)(C)C#.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PPF | 1.0000 |
2 | 1AC | 0.9764 |
3 | HLT | 0.9672 |
4 | ETF | 0.9666 |
5 | CHT | 0.9645 |
6 | 03W | 0.9632 |
7 | DGY | 0.9632 |
8 | HSW | 0.9595 |
9 | VX | 0.9592 |
10 | ALA | 0.9576 |
11 | ALQ | 0.9571 |
12 | CYS | 0.9566 |
13 | DAL | 0.9560 |
14 | SER | 0.9550 |
15 | ODV | 0.9550 |
16 | FMS | 0.9549 |
17 | LAC | 0.9536 |
18 | HBR | 0.9533 |
19 | 8X3 | 0.9529 |
20 | 2OP | 0.9523 |
21 | HIU | 0.9520 |
22 | NAK | 0.9519 |
23 | VSO | 0.9512 |
24 | XPO | 0.9508 |
25 | ICN | 0.9507 |
26 | DE2 | 0.9504 |
27 | 2RA | 0.9500 |
28 | HUI | 0.9489 |
29 | 192 | 0.9480 |
30 | TAU | 0.9480 |
31 | SMB | 0.9480 |
32 | 39J | 0.9479 |
33 | NIS | 0.9479 |
34 | OXL | 0.9474 |
35 | OXM | 0.9469 |
36 | HGY | 0.9463 |
37 | DSN | 0.9447 |
38 | HBS | 0.9442 |
39 | 2HE | 0.9441 |
40 | OXD | 0.9423 |
41 | BAE | 0.9421 |
42 | POA | 0.9421 |
43 | PYR | 0.9417 |
44 | BU4 | 0.9416 |
45 | P7I | 0.9409 |
46 | COM | 0.9407 |
47 | C2N | 0.9405 |
48 | DXX | 0.9402 |
49 | TFS | 0.9401 |
50 | ETM | 0.9385 |
51 | 3HR | 0.9383 |
52 | DCY | 0.9373 |
53 | MLA | 0.9372 |
54 | CYH | 0.9368 |
55 | CXL | 0.9368 |
56 | NCM | 0.9362 |
57 | 9SB | 0.9356 |
58 | CNH | 0.9353 |
59 | THR | 0.9342 |
60 | MLI | 0.9342 |
61 | FCN | 0.9341 |
62 | TAN | 0.9330 |
63 | HV2 | 0.9328 |
64 | TF4 | 0.9326 |
65 | HAI | 0.9325 |
66 | TB0 | 0.9321 |
67 | 8FH | 0.9307 |
68 | MRY | 0.9306 |
69 | PYM | 0.9303 |
70 | IVA | 0.9298 |
71 | 6SP | 0.9293 |
72 | BUO | 0.9280 |
73 | 5Y9 | 0.9273 |
74 | DMG | 0.9270 |
75 | 1CB | 0.9269 |
76 | 7EX | 0.9267 |
77 | 3ZS | 0.9260 |
78 | VAL | 0.9258 |
79 | 3HL | 0.9251 |
80 | BTL | 0.9240 |
81 | 3PY | 0.9226 |
82 | PRS | 0.9222 |
83 | AKB | 0.9217 |
84 | ABA | 0.9206 |
85 | RP7 | 0.9206 |
86 | MMQ | 0.9194 |
87 | PRO | 0.9192 |
88 | AOA | 0.9189 |
89 | 3OH | 0.9185 |
90 | BAL | 0.9175 |
91 | PAE | 0.9169 |
92 | LER | 0.9151 |
93 | DBB | 0.9147 |
94 | 2KT | 0.9143 |
95 | CP | 0.9137 |
96 | 4AX | 0.9133 |
97 | TFB | 0.9133 |
98 | QFH | 0.9115 |
99 | HSL | 0.9105 |
100 | HSE | 0.9085 |
101 | DAB | 0.9085 |
102 | 23B | 0.9069 |
103 | GOL | 0.9067 |
104 | WTZ | 0.9067 |
105 | MPD | 0.9063 |
106 | BUA | 0.9062 |
107 | KIV | 0.9058 |
108 | KG7 | 0.9054 |
109 | SAR | 0.9051 |
110 | MB3 | 0.9049 |
111 | MMZ | 0.9045 |
112 | MLM | 0.9036 |
113 | DPR | 0.9033 |
114 | KSW | 0.9026 |
115 | BUB | 0.9024 |
116 | XAP | 0.9008 |
117 | BUQ | 0.9003 |
118 | SAT | 0.8993 |
119 | AC5 | 0.8991 |
120 | SSN | 0.8989 |
121 | TB6 | 0.8972 |
122 | 40O | 0.8970 |
123 | IQ0 | 0.8963 |
124 | HPY | 0.8962 |
125 | HZP | 0.8961 |
126 | ALO | 0.8958 |
127 | A3B | 0.8955 |
128 | EFS | 0.8946 |
129 | C5J | 0.8945 |
130 | GBL | 0.8937 |
131 | AAE | 0.8934 |
132 | DMI | 0.8931 |
133 | BAQ | 0.8931 |
134 | GLY | 0.8929 |
135 | S0H | 0.8928 |
136 | 3ZQ | 0.8923 |
137 | FAH | 0.8920 |
138 | VAH | 0.8912 |
139 | GLV | 0.8909 |
140 | FLA | 0.8906 |
141 | PRI | 0.8905 |
142 | PPI | 0.8905 |
143 | GOA | 0.8895 |
144 | DZZ | 0.8888 |
145 | A2Q | 0.8878 |
146 | UYA | 0.8871 |
147 | PAV | 0.8857 |
148 | DTI | 0.8854 |
149 | 3MT | 0.8845 |
150 | HDA | 0.8845 |
151 | F3V | 0.8844 |
152 | L60 | 0.8833 |
153 | 1SP | 0.8829 |
154 | ILE | 0.8825 |
155 | AKR | 0.8814 |
156 | PAF | 0.8810 |
157 | 1Y8 | 0.8807 |
158 | CIZ | 0.8803 |
159 | 4DX | 0.8803 |
160 | 3TR | 0.8802 |
161 | 2A3 | 0.8799 |
162 | 2A1 | 0.8789 |
163 | GG6 | 0.8787 |
164 | SIN | 0.8781 |
165 | HOW | 0.8781 |
166 | IPH | 0.8779 |
167 | P1R | 0.8774 |
168 | ASP | 0.8773 |
169 | ATQ | 0.8771 |
170 | 0PY | 0.8770 |
171 | 2AI | 0.8769 |
172 | DCD | 0.8769 |
173 | NIE | 0.8768 |
174 | DUC | 0.8767 |
175 | HVK | 0.8766 |
176 | 6HQ | 0.8765 |
177 | YHO | 0.8764 |
178 | B20 | 0.8763 |
179 | BNZ | 0.8762 |
180 | 9PO | 0.8757 |
181 | AMT | 0.8754 |
182 | 7VD | 0.8754 |
183 | HAE | 0.8753 |
184 | L89 | 0.8753 |
185 | FP2 | 0.8752 |
186 | 76X | 0.8751 |
187 | RUU | 0.8749 |
188 | F50 | 0.8748 |
189 | AGU | 0.8748 |
190 | CAQ | 0.8745 |
191 | HVB | 0.8744 |
192 | 1AN | 0.8742 |
193 | 1MZ | 0.8741 |
194 | MR3 | 0.8738 |
195 | MZY | 0.8735 |
196 | 93Q | 0.8733 |
197 | LGA | 0.8732 |
198 | PO4 | 0.8730 |
199 | HRZ | 0.8727 |
200 | MZ0 | 0.8725 |
201 | 2IM | 0.8725 |
202 | GXV | 0.8724 |
203 | 2HP | 0.8724 |
204 | 4MZ | 0.8723 |
205 | MBN | 0.8719 |
206 | 8LG | 0.8718 |
207 | 92Z | 0.8717 |
208 | V1L | 0.8716 |
209 | PHZ | 0.8713 |
210 | 2MZ | 0.8712 |
211 | HYN | 0.8712 |
212 | OXE | 0.8711 |
213 | 3AP | 0.8709 |
214 | NHY | 0.8705 |
215 | KPL | 0.8705 |
216 | TBU | 0.8701 |
217 | J3K | 0.8696 |
218 | FPO | 0.8694 |
219 | R3W | 0.8693 |
220 | TMO | 0.8692 |
221 | 2AP | 0.8688 |
222 | 93B | 0.8686 |
223 | BEW | 0.8685 |
224 | BF4 | 0.8684 |
225 | 280 | 0.8678 |
226 | 4XX | 0.8677 |
227 | BDR | 0.8674 |
228 | 4AP | 0.8673 |
229 | MGX | 0.8670 |
230 | WOT | 0.8666 |
231 | 1DQ | 0.8636 |
232 | MAE | 0.8632 |
233 | 61G | 0.8629 |
234 | NMU | 0.8629 |
235 | 03S | 0.8621 |
236 | 3SY | 0.8619 |
237 | SVJ | 0.8617 |
238 | TLA | 0.8616 |
239 | 1XX | 0.8609 |
240 | XYP | 0.8606 |
241 | 2PA | 0.8603 |
242 | 5MP | 0.8595 |
243 | GXE | 0.8590 |
244 | GB | 0.8588 |
245 | 1BP | 0.8587 |
246 | JZ6 | 0.8582 |
247 | ALF | 0.8580 |
248 | 5KX | 0.8568 |
249 | RIP | 0.8564 |
250 | XYS | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 3a8h.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |