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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 4 families. | |||||
1 | 1H0C | - | AOA | C2 H5 N O3 | C(C(=O)O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1H0C | - | AOA | C2 H5 N O3 | C(C(=O)O)O.... |
2 | 2HUI | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
3 | 2HUU | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
4 | 1VJO | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AOA | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BMD | 1.0000 |
2 | BAL | 0.9995 |
3 | BUA | 0.9995 |
4 | BUQ | 0.9993 |
5 | 3OH | 0.9939 |
6 | BU4 | 0.9865 |
7 | GLY | 0.9846 |
8 | ITU | 0.9785 |
9 | PPI | 0.9784 |
10 | HGY | 0.9782 |
11 | PYR | 0.9760 |
12 | OXM | 0.9751 |
13 | LAC | 0.9747 |
14 | GOA | 0.9743 |
15 | FAH | 0.9741 |
16 | 3BB | 0.9741 |
17 | SLP | 0.9725 |
18 | 2OP | 0.9724 |
19 | OXL | 0.9713 |
20 | MLA | 0.9712 |
21 | F3V | 0.9709 |
22 | BXO | 0.9706 |
23 | HVB | 0.9700 |
24 | ALA | 0.9696 |
25 | GLV | 0.9695 |
26 | NIE | 0.9694 |
27 | HBR | 0.9689 |
28 | DAL | 0.9683 |
29 | HBS | 0.9682 |
30 | BUB | 0.9678 |
31 | AKR | 0.9673 |
32 | SAR | 0.9672 |
33 | NAK | 0.9652 |
34 | R3W | 0.9652 |
35 | MLI | 0.9645 |
36 | BUO | 0.9641 |
37 | MTG | 0.9636 |
38 | ALQ | 0.9628 |
39 | ATO | 0.9620 |
40 | F50 | 0.9618 |
41 | PYM | 0.9610 |
42 | MSF | 0.9592 |
43 | FJO | 0.9590 |
44 | OXD | 0.9588 |
45 | DXX | 0.9585 |
46 | 3HR | 0.9581 |
47 | 61G | 0.9573 |
48 | PXO | 0.9571 |
49 | NIS | 0.9571 |
50 | HAE | 0.9563 |
51 | TSZ | 0.9560 |
52 | EGD | 0.9556 |
53 | MZ0 | 0.9551 |
54 | SER | 0.9542 |
55 | DSN | 0.9540 |
56 | 2KT | 0.9538 |
57 | J3K | 0.9537 |
58 | 3HL | 0.9536 |
59 | GOL | 0.9534 |
60 | 3PY | 0.9532 |
61 | GBL | 0.9515 |
62 | ABA | 0.9510 |
63 | XAP | 0.9504 |
64 | MLM | 0.9502 |
65 | BAQ | 0.9486 |
66 | C5J | 0.9480 |
67 | 2RA | 0.9474 |
68 | DGY | 0.9473 |
69 | 03W | 0.9473 |
70 | THR | 0.9467 |
71 | MTD | 0.9464 |
72 | 1AC | 0.9462 |
73 | DE2 | 0.9457 |
74 | 1CB | 0.9452 |
75 | AAE | 0.9445 |
76 | HIU | 0.9444 |
77 | PRI | 0.9442 |
78 | 3CL | 0.9441 |
79 | NVI | 0.9438 |
80 | 6SP | 0.9437 |
81 | CHT | 0.9435 |
82 | 2A1 | 0.9435 |
83 | CYS | 0.9430 |
84 | A3B | 0.9427 |
85 | ABU | 0.9418 |
86 | 1BP | 0.9416 |
87 | 9A4 | 0.9414 |
88 | DMG | 0.9410 |
89 | HV2 | 0.9406 |
90 | FW5 | 0.9403 |
91 | 2EZ | 0.9403 |
92 | DBB | 0.9401 |
93 | 39J | 0.9395 |
94 | BRP | 0.9392 |
95 | HUI | 0.9386 |
96 | 4HA | 0.9385 |
97 | MEU | 0.9378 |
98 | P2D | 0.9373 |
99 | 2A3 | 0.9371 |
100 | BVG | 0.9371 |
101 | 13D | 0.9369 |
102 | NMU | 0.9368 |
103 | SMB | 0.9367 |
104 | PUT | 0.9364 |
105 | SSN | 0.9357 |
106 | HVQ | 0.9348 |
107 | 3GR | 0.9348 |
108 | 1SP | 0.9346 |
109 | NBN | 0.9346 |
110 | TF4 | 0.9343 |
111 | IPU | 0.9338 |
112 | CP2 | 0.9334 |
113 | KG7 | 0.9316 |
114 | DSS | 0.9316 |
115 | 3ZS | 0.9314 |
116 | DCY | 0.9313 |
117 | SGL | 0.9309 |
118 | PPF | 0.9307 |
119 | C2N | 0.9293 |
120 | BXA | 0.9293 |
121 | TAN | 0.9292 |
122 | CNH | 0.9292 |
123 | ATQ | 0.9283 |
124 | BVC | 0.9279 |
125 | 2HA | 0.9277 |
126 | IPH | 0.9275 |
127 | ETM | 0.9262 |
128 | PE9 | 0.9261 |
129 | NHY | 0.9259 |
130 | IVA | 0.9255 |
131 | 3SS | 0.9247 |
132 | CRD | 0.9245 |
133 | MGX | 0.9241 |
134 | 8X3 | 0.9241 |
135 | CEJ | 0.9240 |
136 | ETF | 0.9239 |
137 | GXV | 0.9218 |
138 | TAU | 0.9209 |
139 | BTL | 0.9205 |
140 | BBU | 0.9202 |
141 | LER | 0.9198 |
142 | VSO | 0.9197 |
143 | D2P | 0.9194 |
144 | XPO | 0.9194 |
145 | TAY | 0.9189 |
146 | VX | 0.9186 |
147 | KIV | 0.9180 |
148 | 2IM | 0.9178 |
149 | LEA | 0.9174 |
150 | COM | 0.9173 |
151 | 2HE | 0.9173 |
152 | AGU | 0.9171 |
153 | ETX | 0.9171 |
154 | 7EX | 0.9171 |
155 | AML | 0.9157 |
156 | DTL | 0.9156 |
157 | PYZ | 0.9153 |
158 | POA | 0.9140 |
159 | P7I | 0.9138 |
160 | L60 | 0.9136 |
161 | TB0 | 0.9131 |
162 | BYZ | 0.9127 |
163 | CXL | 0.9126 |
164 | 4MZ | 0.9125 |
165 | 2MZ | 0.9118 |
166 | A2Q | 0.9115 |
167 | 3MT | 0.9113 |
168 | 3TR | 0.9110 |
169 | 1MZ | 0.9109 |
170 | 192 | 0.9107 |
171 | EFS | 0.9106 |
172 | PRO | 0.9105 |
173 | 2PC | 0.9105 |
174 | HSW | 0.9104 |
175 | AMT | 0.9104 |
176 | MRY | 0.9103 |
177 | 5KX | 0.9098 |
178 | SIN | 0.9096 |
179 | MB3 | 0.9096 |
180 | 5MP | 0.9093 |
181 | SYN | 0.9091 |
182 | TFB | 0.9082 |
183 | HOW | 0.9081 |
184 | 9A7 | 0.9080 |
185 | 273 | 0.9073 |
186 | 2AI | 0.9068 |
187 | VAL | 0.9063 |
188 | JZ6 | 0.9059 |
189 | ES3 | 0.9059 |
190 | 9SB | 0.9052 |
191 | MR3 | 0.9047 |
192 | 0CL | 0.9043 |
193 | DCL | 0.9041 |
194 | OSM | 0.9037 |
195 | IHG | 0.9034 |
196 | HAI | 0.9027 |
197 | APY | 0.9025 |
198 | KSW | 0.9019 |
199 | 5Y9 | 0.9008 |
200 | PAE | 0.9003 |
201 | HSM | 0.8999 |
202 | BAE | 0.8998 |
203 | HSL | 0.8995 |
204 | CYH | 0.8995 |
205 | ALO | 0.8991 |
206 | A8C | 0.8989 |
207 | MZY | 0.8987 |
208 | MPD | 0.8981 |
209 | HLT | 0.8974 |
210 | PRS | 0.8972 |
211 | 9YL | 0.8967 |
212 | DPR | 0.8963 |
213 | 23W | 0.8962 |
214 | AKB | 0.8955 |
215 | AMC | 0.8955 |
216 | MMQ | 0.8943 |
217 | CP | 0.8940 |
218 | HDA | 0.8939 |
219 | FCN | 0.8937 |
220 | TCV | 0.8930 |
221 | MAE | 0.8922 |
222 | MMZ | 0.8919 |
223 | DTT | 0.8901 |
224 | 24T | 0.8894 |
225 | 282 | 0.8888 |
226 | 4AX | 0.8884 |
227 | HSE | 0.8882 |
228 | IQ0 | 0.8881 |
229 | EDO | 0.8879 |
230 | 3AP | 0.8867 |
231 | SAT | 0.8864 |
232 | HX2 | 0.8855 |
233 | MBN | 0.8855 |
234 | TFS | 0.8854 |
235 | 1DU | 0.8852 |
236 | XIX | 0.8849 |
237 | 2AP | 0.8848 |
238 | HZP | 0.8846 |
239 | H3M | 0.8845 |
240 | FMS | 0.8844 |
241 | WOT | 0.8842 |
242 | 4AP | 0.8837 |
243 | TB6 | 0.8829 |
244 | JBN | 0.8829 |
245 | HRZ | 0.8829 |
246 | 9PO | 0.8827 |
247 | BRJ | 0.8827 |
248 | HVK | 0.8824 |
249 | DTU | 0.8823 |
250 | HYN | 0.8817 |
251 | LGA | 0.8812 |
252 | 8FH | 0.8811 |
253 | NOE | 0.8806 |
254 | 9X7 | 0.8802 |
255 | S0H | 0.8794 |
256 | AC5 | 0.8789 |
257 | 69O | 0.8788 |
258 | T2C | 0.8775 |
259 | ICN | 0.8771 |
260 | 40O | 0.8769 |
261 | NMG | 0.8757 |
262 | THE | 0.8746 |
263 | ODV | 0.8742 |
264 | FUM | 0.8741 |
265 | OPE | 0.8718 |
266 | HCS | 0.8709 |
267 | 285 | 0.8700 |
268 | 7VD | 0.8692 |
269 | 1KA | 0.8692 |
270 | NCM | 0.8687 |
271 | JAB | 0.8683 |
272 | EDG | 0.8665 |
273 | NVA | 0.8630 |
274 | OAA | 0.8612 |
275 | 4MV | 0.8602 |
276 | 03S | 0.8587 |
277 | R2B | 0.8584 |
278 | 2HP | 0.8562 |
279 | DZZ | 0.8543 |
280 | R1X | 0.8538 |
281 | ASN | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 1h0c.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1h0c.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |