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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 | 1JDX | - | NVA | C5 H11 N O2 | CCC[C@@H](.... |
2 | 9JDW | - | ABA | C4 H9 N O2 | CC[C@@H](C.... |
3 | 8JDW | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
4 | 6JDW | - | ABU | C4 H9 N O2 | C(CC(=O)O).... |
5 | 4JDW | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
6 | 7JDW | - | DAV | C5 H12 N O2 | C(CC[NH3+].... |
7 | 3JDW | Ki = 253 uM | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1JDX | - | NVA | C5 H11 N O2 | CCC[C@@H](.... |
2 | 9JDW | - | ABA | C4 H9 N O2 | CC[C@@H](C.... |
3 | 8JDW | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
4 | 6JDW | - | ABU | C4 H9 N O2 | C(CC(=O)O).... |
5 | 4JDW | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
6 | 7JDW | - | DAV | C5 H12 N O2 | C(CC[NH3+].... |
7 | 3JDW | Ki = 253 uM | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6NA | 0.9710 |
2 | HTX | 0.9698 |
3 | GUA | 0.9668 |
4 | FUM | 0.9618 |
5 | DQY | 0.9604 |
6 | SIN | 0.9590 |
7 | VKC | 0.9578 |
8 | 3OM | 0.9573 |
9 | GLU | 0.9542 |
10 | HSM | 0.9537 |
11 | LEA | 0.9508 |
12 | ORN | 0.9507 |
13 | OKG | 0.9502 |
14 | HCS | 0.9500 |
15 | SSN | 0.9489 |
16 | HX2 | 0.9480 |
17 | URP | 0.9465 |
18 | MET | 0.9461 |
19 | 3SS | 0.9432 |
20 | 69O | 0.9430 |
21 | 5XA | 0.9427 |
22 | 0VT | 0.9425 |
23 | LMR | 0.9422 |
24 | A8C | 0.9421 |
25 | AG2 | 0.9419 |
26 | URO | 0.9411 |
27 | 9X7 | 0.9411 |
28 | BUB | 0.9404 |
29 | YIV | 0.9396 |
30 | 4MV | 0.9393 |
31 | GLY GLY | 0.9381 |
32 | 49F | 0.9380 |
33 | PG3 | 0.9376 |
34 | O8Y | 0.9374 |
35 | HPN | 0.9373 |
36 | 3OL | 0.9369 |
37 | PUT | 0.9368 |
38 | HE4 | 0.9352 |
39 | PG0 | 0.9352 |
40 | 2CO | 0.9339 |
41 | 16D | 0.9338 |
42 | NLE | 0.9332 |
43 | BHH | 0.9328 |
44 | SHF | 0.9324 |
45 | HSE | 0.9319 |
46 | LEU | 0.9319 |
47 | HP6 | 0.9318 |
48 | N6C | 0.9313 |
49 | FBJ | 0.9313 |
50 | AKG | 0.9300 |
51 | MLT | 0.9295 |
52 | KQY | 0.9288 |
53 | HDA | 0.9286 |
54 | HE2 | 0.9284 |
55 | OCT | 0.9275 |
56 | 1SP | 0.9274 |
57 | OEG | 0.9273 |
58 | S2G | 0.9270 |
59 | H95 | 0.9263 |
60 | OK7 | 0.9262 |
61 | NVA | 0.9262 |
62 | GLN | 0.9258 |
63 | DGN | 0.9258 |
64 | ASP | 0.9256 |
65 | 4SD | 0.9252 |
66 | SHV | 0.9244 |
67 | OAA | 0.9235 |
68 | 650 | 0.9233 |
69 | 266 | 0.9227 |
70 | PE9 | 0.9205 |
71 | NMG | 0.9204 |
72 | OGA | 0.9201 |
73 | S8V | 0.9197 |
74 | 13P | 0.9196 |
75 | KMT | 0.9195 |
76 | IHG | 0.9191 |
77 | LYS | 0.9189 |
78 | PGA | 0.9182 |
79 | PEA | 0.9181 |
80 | 2HG | 0.9177 |
81 | ONH | 0.9174 |
82 | DGL | 0.9169 |
83 | 1KA | 0.9168 |
84 | RBL | 0.9167 |
85 | JYD | 0.9159 |
86 | CXF | 0.9155 |
87 | 1SH | 0.9153 |
88 | UGC | 0.9152 |
89 | BHL | 0.9150 |
90 | BHL BHL | 0.9150 |
91 | EOU | 0.9149 |
92 | TEO | 0.9146 |
93 | COI | 0.9141 |
94 | GGL | 0.9141 |
95 | HSO | 0.9139 |
96 | BXO | 0.9137 |
97 | ZBT | 0.9136 |
98 | ONL | 0.9134 |
99 | 9YL | 0.9134 |
100 | HY1 | 0.9129 |
101 | PEL | 0.9112 |
102 | THE | 0.9111 |
103 | 7CL | 0.9111 |
104 | XUL | 0.9105 |
105 | DE5 | 0.9104 |
106 | SD4 | 0.9104 |
107 | MHN | 0.9103 |
108 | HYA | 0.9102 |
109 | ASN | 0.9095 |
110 | GJZ | 0.9095 |
111 | X1S | 0.9095 |
112 | KMH | 0.9095 |
113 | PHB | 0.9092 |
114 | MED | 0.9087 |
115 | CEE | 0.9082 |
116 | LNO | 0.9075 |
117 | 5BR | 0.9075 |
118 | GPJ | 0.9074 |
119 | GLY ALA | 0.9074 |
120 | NF3 | 0.9072 |
121 | 2IT | 0.9072 |
122 | OPE | 0.9063 |
123 | 1DU | 0.9062 |
124 | CCE | 0.9061 |
125 | BNF | 0.9060 |
126 | PHU | 0.9060 |
127 | GPF | 0.9058 |
128 | G3P | 0.9057 |
129 | XRG | 0.9056 |
130 | 264 | 0.9053 |
131 | MSE | 0.9052 |
132 | FW5 | 0.9052 |
133 | PGH | 0.9050 |
134 | 268 | 0.9048 |
135 | SSB | 0.9048 |
136 | XBT | 0.9046 |
137 | N4B | 0.9041 |
138 | IXW | 0.9040 |
139 | 3S5 | 0.9039 |
140 | GOJ | 0.9038 |
141 | 271 | 0.9032 |
142 | SEP | 0.9032 |
143 | 9ON | 0.9030 |
144 | PRA | 0.9030 |
145 | 40E | 0.9030 |
146 | AML | 0.9029 |
147 | MLZ | 0.9028 |
148 | FAN | 0.9028 |
149 | CSS | 0.9027 |
150 | NYL | 0.9025 |
151 | 3HG | 0.9024 |
152 | FQI | 0.9024 |
153 | ETX | 0.9021 |
154 | NM3 | 0.9016 |
155 | 98J | 0.9015 |
156 | XLS | 0.9012 |
157 | TZL | 0.9012 |
158 | 4HA | 0.9012 |
159 | XYL | 0.9011 |
160 | AT3 | 0.9010 |
161 | YRL | 0.9010 |
162 | 258 | 0.9006 |
163 | 9J3 | 0.9006 |
164 | SGL | 0.9004 |
165 | 4FA | 0.9001 |
166 | IP8 | 0.8999 |
167 | GP9 | 0.8997 |
168 | NBN | 0.8997 |
169 | MUC | 0.8994 |
170 | DAS | 0.8992 |
171 | 54D | 0.8992 |
172 | 7BC | 0.8990 |
173 | CCD | 0.8990 |
174 | MEV | 0.8989 |
175 | BHO | 0.8988 |
176 | SKJ | 0.8987 |
177 | LLQ | 0.8985 |
178 | 1SA | 0.8984 |
179 | NTU | 0.8983 |
180 | NIZ | 0.8983 |
181 | 2EH | 0.8981 |
182 | LTL | 0.8979 |
183 | XAP | 0.8977 |
184 | HIS | 0.8975 |
185 | CHH | 0.8974 |
186 | 3PP | 0.8974 |
187 | ISZ | 0.8974 |
188 | 7WG | 0.8973 |
189 | LT1 | 0.8970 |
190 | 1GP | 0.8964 |
191 | 6JN | 0.8955 |
192 | MHO | 0.8954 |
193 | HBD | 0.8953 |
194 | VAH | 0.8950 |
195 | G3H | 0.8950 |
196 | MEQ | 0.8947 |
197 | CFI | 0.8944 |
198 | 2RH | 0.8933 |
199 | PPR | 0.8927 |
200 | RTK | 0.8925 |
201 | SPV | 0.8925 |
202 | TPA | 0.8921 |
203 | A20 | 0.8921 |
204 | CYX | 0.8914 |
205 | 1Y6 | 0.8910 |
206 | NM2 | 0.8908 |
207 | 9X6 | 0.8907 |
208 | PO6 | 0.8907 |
209 | TIU | 0.8905 |
210 | FEH | 0.8905 |
211 | RB0 | 0.8902 |
212 | 4LR | 0.8902 |
213 | PEP | 0.8901 |
214 | 6XA | 0.8900 |
215 | K34 | 0.8898 |
216 | AE3 | 0.8897 |
217 | JZ7 | 0.8896 |
218 | TCA | 0.8895 |
219 | LYN | 0.8882 |
220 | NLP | 0.8878 |
221 | I1E | 0.8866 |
222 | K6V | 0.8859 |
223 | AEF | 0.8856 |
224 | NSD | 0.8851 |
225 | Q9Z | 0.8847 |
226 | 5FX | 0.8845 |
227 | 717 | 0.8844 |
228 | AL0 | 0.8843 |
229 | 0L1 | 0.8836 |
230 | 7C3 | 0.8835 |
231 | 14J | 0.8834 |
232 | DLY | 0.8834 |
233 | HL5 | 0.8831 |
234 | CCU | 0.8831 |
235 | MPJ | 0.8827 |
236 | PKU | 0.8814 |
237 | 129 | 0.8813 |
238 | RB5 | 0.8813 |
239 | 3SL | 0.8811 |
240 | OC9 | 0.8805 |
241 | DYA | 0.8801 |
242 | ACH | 0.8799 |
243 | M4T | 0.8799 |
244 | FK8 | 0.8797 |
245 | TYL | 0.8792 |
246 | 3YP | 0.8790 |
247 | 8EW | 0.8786 |
248 | R9M | 0.8783 |
249 | SME | 0.8782 |
250 | I4B | 0.8775 |
251 | DZA | 0.8761 |
252 | XIZ | 0.8753 |
253 | PC | 0.8753 |
254 | AHN | 0.8746 |
255 | PHE | 0.8743 |
256 | 3PG | 0.8740 |
257 | 152 | 0.8733 |
258 | J9N | 0.8730 |
259 | 1CO | 0.8724 |
260 | PSE | 0.8717 |
261 | RNS | 0.8716 |
262 | 7OD | 0.8713 |
263 | 4WL | 0.8710 |
264 | DHI | 0.8707 |
265 | 4P5 | 0.8688 |
266 | R67 | 0.8685 |
267 | RNT | 0.8680 |
268 | PNZ | 0.8678 |
269 | ITN | 0.8677 |
270 | B40 | 0.8668 |
271 | DIR | 0.8668 |
272 | HL4 | 0.8654 |
273 | PZI | 0.8652 |
274 | TIH | 0.8646 |
275 | HGA | 0.8641 |
276 | MPH | 0.8638 |
277 | LUQ | 0.8632 |
278 | O45 | 0.8628 |
279 | OCA | 0.8618 |
280 | 3LR | 0.8615 |
281 | MAH | 0.8611 |
282 | DPJ | 0.8602 |
283 | NSB | 0.8602 |
284 | MZT | 0.8598 |
285 | OSE | 0.8596 |
286 | NMH | 0.8592 |
287 | DHM | 0.8591 |
288 | B3M | 0.8582 |
289 | 2FT | 0.8581 |
290 | CXP | 0.8571 |
291 | 4ZA | 0.8567 |
292 | CUW | 0.8552 |
293 | FOM | 0.8551 |
294 | OOG | 0.8539 |
This union binding pocket(no: 1) in the query (biounit: 3jdw.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3jdw.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |