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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 277 families. | |||||
1 | 5E5H | - | 0T1 | C22 H38 N7 O16 P3 | CCCNC(=O)C.... |
2 | 4EU7 | Ki = 150 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 4EUA | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 5DW5 | - | 0T1 | C22 H38 N7 O16 P3 | CCCNC(=O)C.... |
5 | 4EU9 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 4EUB | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 5DW6 | - | 0T1 | C22 H38 N7 O16 P3 | CCCNC(=O)C.... |
8 | 4EU3 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
9 | 4EU8 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
10 | 5DDK | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
11 | 4EUD | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
12 | 4EU5 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 5E5H | - | 0T1 | C22 H38 N7 O16 P3 | CCCNC(=O)C.... |
2 | 4EU7 | Ki = 150 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 4EUA | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 5DW5 | - | 0T1 | C22 H38 N7 O16 P3 | CCCNC(=O)C.... |
5 | 4EU9 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 4EUB | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 5DW6 | - | 0T1 | C22 H38 N7 O16 P3 | CCCNC(=O)C.... |
8 | 4EU3 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
9 | 4EU8 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
10 | 5DDK | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
11 | 4EUD | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
12 | 4EU5 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0T1 | 1 | 1 |
2 | DCA | 0.910714 | 0.976744 |
3 | COA | 0.894737 | 0.976744 |
4 | ETB | 0.877193 | 0.920455 |
5 | CAO | 0.871795 | 0.94382 |
6 | AMX | 0.871795 | 0.988235 |
7 | COS | 0.871795 | 0.954545 |
8 | 30N | 0.871795 | 0.893617 |
9 | CMX | 0.864407 | 0.976744 |
10 | SCO | 0.864407 | 0.976744 |
11 | ACO | 0.857143 | 0.94382 |
12 | FAM | 0.857143 | 0.954545 |
13 | FCX | 0.857143 | 0.94382 |
14 | HAX | 0.85 | 0.954545 |
15 | BCO | 0.845528 | 0.977012 |
16 | 1VU | 0.844262 | 0.965909 |
17 | FYN | 0.842975 | 0.976744 |
18 | 3KK | 0.842975 | 0.954545 |
19 | CAJ | 0.837398 | 0.977012 |
20 | KGP | 0.836066 | 0.865979 |
21 | YZS | 0.836066 | 0.865979 |
22 | SOP | 0.836066 | 0.954545 |
23 | OXK | 0.836066 | 0.954545 |
24 | MCD | 0.836066 | 0.954545 |
25 | CA6 | 0.836066 | 0.865979 |
26 | COK | 0.836066 | 0.954545 |
27 | 3HC | 0.830645 | 0.965517 |
28 | IVC | 0.830645 | 0.965517 |
29 | CMC | 0.829268 | 0.954545 |
30 | NMX | 0.829268 | 0.903226 |
31 | CO6 | 0.829268 | 0.954545 |
32 | SCD | 0.822581 | 0.976744 |
33 | 2MC | 0.822581 | 0.913043 |
34 | MLC | 0.816 | 0.954545 |
35 | A1S | 0.816 | 0.954545 |
36 | KGJ | 0.816 | 0.893617 |
37 | 1HE | 0.816 | 0.933333 |
38 | HXC | 0.8125 | 0.955056 |
39 | HGG | 0.811024 | 0.954545 |
40 | SO5 | 0.809524 | 0.857143 |
41 | MCA | 0.809524 | 0.94382 |
42 | YE1 | 0.809524 | 0.965517 |
43 | CAA | 0.809524 | 0.965517 |
44 | COO | 0.809524 | 0.954545 |
45 | LCV | 0.809524 | 0.857143 |
46 | YXS | 0.80315 | 0.865979 |
47 | MC4 | 0.80315 | 0.903226 |
48 | SCA | 0.80315 | 0.954545 |
49 | YXR | 0.80315 | 0.865979 |
50 | 2CP | 0.80315 | 0.94382 |
51 | CO8 | 0.8 | 0.955056 |
52 | KFV | 0.796875 | 0.875 |
53 | IRC | 0.796875 | 0.965517 |
54 | KGA | 0.796875 | 0.884211 |
55 | 2KQ | 0.796875 | 0.933333 |
56 | COW | 0.796875 | 0.94382 |
57 | COF | 0.796875 | 0.933333 |
58 | CA8 | 0.796875 | 0.865979 |
59 | BYC | 0.796875 | 0.954545 |
60 | 3CP | 0.796875 | 0.954545 |
61 | 1GZ | 0.796875 | 0.94382 |
62 | CS8 | 0.795455 | 0.944444 |
63 | MYA | 0.793893 | 0.955056 |
64 | DCC | 0.793893 | 0.955056 |
65 | UCC | 0.793893 | 0.955056 |
66 | MFK | 0.793893 | 0.955056 |
67 | ST9 | 0.793893 | 0.955056 |
68 | 5F9 | 0.793893 | 0.955056 |
69 | TGC | 0.792308 | 0.94382 |
70 | FAQ | 0.790698 | 0.954545 |
71 | BCA | 0.790698 | 0.94382 |
72 | 4CA | 0.790698 | 0.94382 |
73 | 0ET | 0.787879 | 0.955056 |
74 | S0N | 0.78626 | 0.954545 |
75 | GRA | 0.784615 | 0.954545 |
76 | UOQ | 0.776119 | 0.955056 |
77 | NHM | 0.776119 | 0.955056 |
78 | NHW | 0.776119 | 0.955056 |
79 | HDC | 0.776119 | 0.955056 |
80 | 1CZ | 0.772727 | 0.94382 |
81 | CIC | 0.772727 | 0.954545 |
82 | 2NE | 0.772727 | 0.933333 |
83 | MRR | 0.77037 | 0.955056 |
84 | MRS | 0.77037 | 0.955056 |
85 | 4CO | 0.766917 | 0.94382 |
86 | 0FQ | 0.766917 | 0.954545 |
87 | 01A | 0.761194 | 0.913043 |
88 | 8Z2 | 0.759124 | 0.944444 |
89 | HFQ | 0.757353 | 0.933333 |
90 | WCA | 0.755556 | 0.933333 |
91 | 1CV | 0.755556 | 0.954545 |
92 | J5H | 0.751825 | 0.954545 |
93 | 4KX | 0.75 | 0.923077 |
94 | DAK | 0.73913 | 0.923077 |
95 | YNC | 0.73913 | 0.94382 |
96 | NHQ | 0.723404 | 0.965517 |
97 | COD | 0.721311 | 0.965116 |
98 | 01K | 0.72028 | 0.954545 |
99 | COT | 0.715278 | 0.954545 |
100 | 1HA | 0.713287 | 0.933333 |
101 | CCQ | 0.708029 | 0.913043 |
102 | CA3 | 0.705479 | 0.954545 |
103 | F8G | 0.703448 | 0.893617 |
104 | 7L1 | 0.692308 | 0.94382 |
105 | RMW | 0.682119 | 0.933333 |
106 | CA5 | 0.671053 | 0.913043 |
107 | 93P | 0.666667 | 0.94382 |
108 | UCA | 0.666667 | 0.933333 |
109 | CO7 | 0.664234 | 0.954545 |
110 | N9V | 0.659574 | 0.922222 |
111 | COA FLC | 0.656489 | 0.942529 |
112 | 93M | 0.64557 | 0.94382 |
113 | BUA COA | 0.628571 | 0.943182 |
114 | OXT | 0.614458 | 0.893617 |
115 | 5TW | 0.607143 | 0.893617 |
116 | 4BN | 0.607143 | 0.893617 |
117 | 6NA COA | 0.606897 | 0.922222 |
118 | PAP | 0.603604 | 0.811765 |
119 | JBT | 0.598837 | 0.875 |
120 | PLM COA | 0.594595 | 0.922222 |
121 | DKA COA | 0.594595 | 0.922222 |
122 | MYR COA | 0.594595 | 0.922222 |
123 | EO3 COA | 0.594595 | 0.922222 |
124 | DAO COA | 0.594595 | 0.922222 |
125 | X90 COA | 0.594595 | 0.922222 |
126 | DCR COA | 0.594595 | 0.922222 |
127 | BSJ | 0.592814 | 0.923077 |
128 | HMG | 0.581081 | 0.921348 |
129 | A3P | 0.54955 | 0.8 |
130 | PPS | 0.547009 | 0.734043 |
131 | ASP ASP ASP ILE NH2 CMC | 0.546012 | 0.932584 |
132 | 0WD | 0.532847 | 0.788889 |
133 | ACE SER ASP ALY THR NH2 COA | 0.49162 | 0.911111 |
134 | SFC | 0.490683 | 0.933333 |
135 | RFC | 0.490683 | 0.933333 |
136 | MET VAL ASN ALA CMC | 0.488764 | 0.911111 |
137 | 3AM | 0.482143 | 0.788235 |
138 | PTJ | 0.48062 | 0.872093 |
139 | PUA | 0.472603 | 0.820225 |
140 | A22 | 0.468254 | 0.813953 |
141 | 5AD NJS | 0.467456 | 0.892473 |
142 | A2D | 0.465517 | 0.802326 |
143 | PAJ | 0.460938 | 0.883721 |
144 | HQG | 0.460317 | 0.813953 |
145 | AGS | 0.459016 | 0.786517 |
146 | ATR | 0.459016 | 0.8 |
147 | 3OD | 0.458015 | 0.825581 |
148 | ACE MET LEU GLY PRO NH2 COA | 0.455497 | 0.911111 |
149 | ADP | 0.453782 | 0.823529 |
150 | 9BG | 0.451389 | 0.788889 |
151 | A2R | 0.448819 | 0.813953 |
152 | 8LE | 0.448 | 0.848837 |
153 | UBG | 0.447853 | 0.844444 |
154 | 1ZZ | 0.44697 | 0.863636 |
155 | YLB | 0.446809 | 0.930233 |
156 | BA3 | 0.445378 | 0.802326 |
157 | NA7 | 0.442748 | 0.858824 |
158 | OAD | 0.442748 | 0.825581 |
159 | ATP | 0.442623 | 0.823529 |
160 | HEJ | 0.442623 | 0.823529 |
161 | AP5 | 0.441667 | 0.802326 |
162 | B4P | 0.441667 | 0.802326 |
163 | AR6 | 0.439024 | 0.802326 |
164 | APR | 0.439024 | 0.802326 |
165 | 2A5 | 0.439024 | 0.847059 |
166 | AQP | 0.439024 | 0.823529 |
167 | 5FA | 0.439024 | 0.823529 |
168 | AN2 | 0.438017 | 0.813953 |
169 | 48N | 0.435714 | 0.808989 |
170 | YLP | 0.435714 | 0.908046 |
171 | JNT | 0.435115 | 0.847059 |
172 | M33 | 0.434426 | 0.813953 |
173 | QA7 | 0.434109 | 0.848837 |
174 | 8LQ | 0.434109 | 0.837209 |
175 | APU | 0.433566 | 0.786517 |
176 | 9X8 | 0.431818 | 0.786517 |
177 | SRP | 0.429688 | 0.837209 |
178 | OMR | 0.429577 | 0.875 |
179 | ANP | 0.428571 | 0.804598 |
180 | WAQ | 0.428571 | 0.860465 |
181 | NDP | 0.427586 | 0.788889 |
182 | ADQ | 0.427481 | 0.804598 |
183 | PRX | 0.427419 | 0.847059 |
184 | AT4 | 0.42623 | 0.795455 |
185 | 5AL | 0.425197 | 0.813953 |
186 | 7D3 | 0.425 | 0.793103 |
187 | AD9 | 0.424 | 0.804598 |
188 | 7D4 | 0.422764 | 0.793103 |
189 | CA0 | 0.422764 | 0.804598 |
190 | 25L | 0.422222 | 0.813953 |
191 | ATF | 0.421875 | 0.795455 |
192 | NJP | 0.421769 | 0.806818 |
193 | F2R | 0.421769 | 0.865169 |
194 | A2P | 0.421488 | 0.788235 |
195 | 8QN | 0.419847 | 0.813953 |
196 | ACP | 0.419355 | 0.825581 |
197 | KG4 | 0.419355 | 0.804598 |
198 | 8LH | 0.418605 | 0.837209 |
199 | ACQ | 0.417323 | 0.825581 |
200 | 4AD | 0.416667 | 0.827586 |
201 | ATP A | 0.416058 | 0.770115 |
202 | ATP A A A | 0.416058 | 0.770115 |
203 | A | 0.415254 | 0.8 |
204 | AMP | 0.415254 | 0.8 |
205 | NB8 | 0.414815 | 0.808989 |
206 | FYA | 0.414815 | 0.813953 |
207 | ME8 | 0.414815 | 0.822222 |
208 | BIS | 0.414815 | 0.818182 |
209 | TXA | 0.414815 | 0.816092 |
210 | AHX | 0.413534 | 0.829545 |
211 | DLL | 0.413534 | 0.793103 |
212 | 00A | 0.413534 | 0.758242 |
213 | PAX | 0.412903 | 0.793478 |
214 | NVA 2AD | 0.412698 | 0.790698 |
215 | NAI | 0.412587 | 0.777778 |
216 | DQV | 0.411348 | 0.813953 |
217 | 25A | 0.409091 | 0.802326 |
218 | 9ZD | 0.409091 | 0.818182 |
219 | 9ZA | 0.409091 | 0.818182 |
220 | OOB | 0.409091 | 0.793103 |
221 | LAQ | 0.408451 | 0.802198 |
222 | NPW | 0.408163 | 0.822222 |
223 | 6YZ | 0.407692 | 0.825581 |
224 | J4G | 0.407407 | 0.848837 |
225 | AP0 | 0.406897 | 0.769231 |
226 | A1R | 0.406015 | 0.882353 |
227 | AMO | 0.406015 | 0.837209 |
228 | A3R | 0.406015 | 0.882353 |
229 | B5Y | 0.405797 | 0.786517 |
230 | KMQ | 0.405797 | 0.795455 |
231 | FA5 | 0.405797 | 0.816092 |
232 | AYB | 0.405405 | 0.91954 |
233 | TXP | 0.405405 | 0.829545 |
234 | 45A | 0.404959 | 0.781609 |
235 | ABM | 0.404959 | 0.781609 |
236 | AFH | 0.404255 | 0.78022 |
237 | DG1 | 0.403846 | 0.788889 |
238 | 1DG | 0.403846 | 0.788889 |
239 | V2G | 0.403101 | 0.850575 |
240 | LQJ | 0.402878 | 0.781609 |
241 | ODP | 0.402685 | 0.78022 |
242 | 4PS | 0.401709 | 0.662791 |
243 | DAL AMP | 0.401515 | 0.793103 |
244 | MYR AMP | 0.40146 | 0.842697 |
245 | ADX | 0.4 | 0.734043 |
246 | AU1 | 0.4 | 0.804598 |
247 | TXE | 0.4 | 0.818182 |
248 | SRA | 0.4 | 0.764045 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4eu7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4eu7.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4eu7.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4eu7.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |