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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 | 3M1V | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
2 | 5G0R | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
3 | 3M32 | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
4 | 3M30 | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
5 | 5A0Y | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
6 | 3M2R | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
7 | 5A8K | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
8 | 3POT | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
9 | 3M2V | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
10 | 3M2U | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
11 | 5A8R | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
12 | 5A8W | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
13 | 5N1Q | - | TP7 | C11 H22 N O7 P S | 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 | 3M1V | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
2 | 5G0R | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
3 | 3M32 | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
4 | 3M30 | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
5 | 5A0Y | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
6 | 3M2R | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
7 | 5A8K | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
8 | 3POT | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
9 | 3M2V | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
10 | 3M2U | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
11 | 5A8R | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
12 | 5A8W | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
13 | 3SQG | - | COM | C2 H6 O3 S2 | C(CS(=O)(=.... |
14 | 5N1Q | - | TP7 | C11 H22 N O7 P S | C[C@H]([C@.... |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ETM | 1.0000 |
2 | P7I | 1.0000 |
3 | 2HE | 1.0000 |
4 | POA | 1.0000 |
5 | EFS | 1.0000 |
6 | VX | 1.0000 |
7 | CHT | 1.0000 |
8 | XPO | 0.9971 |
9 | FJO | 0.9966 |
10 | BTL | 0.9813 |
11 | OPE | 0.9759 |
12 | 7VD | 0.9675 |
13 | PGA | 0.9652 |
14 | ODV | 0.9611 |
15 | S0H | 0.9608 |
16 | PCT | 0.9590 |
17 | PAE | 0.9566 |
18 | FCN | 0.9565 |
19 | TB6 | 0.9561 |
20 | 1SP | 0.9553 |
21 | MPD | 0.9544 |
22 | HSW | 0.9538 |
23 | SAT | 0.9537 |
24 | CP | 0.9536 |
25 | FW5 | 0.9514 |
26 | TB0 | 0.9507 |
27 | DSS | 0.9505 |
28 | ETF | 0.9466 |
29 | BMD | 0.9457 |
30 | BAE | 0.9448 |
31 | BU4 | 0.9445 |
32 | SGL | 0.9430 |
33 | TAY | 0.9407 |
34 | MMQ | 0.9396 |
35 | HLT | 0.9370 |
36 | BAL | 0.9365 |
37 | VSO | 0.9365 |
38 | CNH | 0.9348 |
39 | BUA | 0.9345 |
40 | MTG | 0.9335 |
41 | PPF | 0.9323 |
42 | BUB | 0.9322 |
43 | DTL | 0.9310 |
44 | 3OH | 0.9305 |
45 | TAN | 0.9300 |
46 | SLP | 0.9290 |
47 | ITU | 0.9289 |
48 | MLA | 0.9289 |
49 | HV2 | 0.9286 |
50 | MLI | 0.9277 |
51 | SAR | 0.9273 |
52 | BUQ | 0.9266 |
53 | SSN | 0.9240 |
54 | EGD | 0.9228 |
55 | NVA | 0.9202 |
56 | LER | 0.9193 |
57 | MSF | 0.9185 |
58 | DTT | 0.9178 |
59 | AOA | 0.9173 |
60 | LLQ | 0.9167 |
61 | 1GP | 0.9164 |
62 | 8FH | 0.9164 |
63 | HSE | 0.9159 |
64 | ETX | 0.9147 |
65 | SMB | 0.9146 |
66 | PAH | 0.9142 |
67 | 1SH | 0.9138 |
68 | PRI | 0.9133 |
69 | HCS | 0.9131 |
70 | LEA | 0.9129 |
71 | ABU | 0.9128 |
72 | G3P | 0.9124 |
73 | BXO | 0.9123 |
74 | 9X7 | 0.9122 |
75 | PUT | 0.9114 |
76 | 3BB | 0.9114 |
77 | DAB | 0.9114 |
78 | IHG | 0.9108 |
79 | THR | 0.9103 |
80 | DE2 | 0.9102 |
81 | MTD | 0.9102 |
82 | 1AC | 0.9097 |
83 | CYS | 0.9092 |
84 | GG6 | 0.9091 |
85 | SIN | 0.9079 |
86 | 39J | 0.9074 |
87 | 9YL | 0.9073 |
88 | XAP | 0.9061 |
89 | 3PY | 0.9056 |
90 | MRY | 0.9049 |
91 | ICN | 0.9045 |
92 | SER | 0.9043 |
93 | HUI | 0.9039 |
94 | A8C | 0.9036 |
95 | HX2 | 0.9033 |
96 | DTU | 0.9029 |
97 | 3HR | 0.9028 |
98 | MAE | 0.9021 |
99 | DMG | 0.9017 |
100 | DXX | 0.9017 |
101 | PRO | 0.9016 |
102 | C2N | 0.9016 |
103 | IPU | 0.9012 |
104 | A3B | 0.9010 |
105 | 4HA | 0.9010 |
106 | PE9 | 0.9009 |
107 | IVA | 0.9008 |
108 | DCY | 0.9004 |
109 | 3GR | 0.9003 |
110 | 3HL | 0.9002 |
111 | 2RA | 0.8996 |
112 | HIU | 0.8989 |
113 | ASN | 0.8989 |
114 | KG7 | 0.8989 |
115 | 192 | 0.8984 |
116 | VAL | 0.8982 |
117 | 03W | 0.8979 |
118 | ILE | 0.8972 |
119 | 3SS | 0.8966 |
120 | AML | 0.8956 |
121 | 2KT | 0.8955 |
122 | CSS | 0.8954 |
123 | DSN | 0.8951 |
124 | ASP | 0.8948 |
125 | ORN | 0.8944 |
126 | 4MV | 0.8935 |
127 | 1KA | 0.8930 |
128 | DBB | 0.8927 |
129 | NVI | 0.8924 |
130 | DGY | 0.8916 |
131 | GXV | 0.8915 |
132 | GOL | 0.8915 |
133 | POP | 0.8910 |
134 | AAE | 0.8908 |
135 | PPV | 0.8907 |
136 | TFB | 0.8905 |
137 | MLM | 0.8904 |
138 | FLA | 0.8898 |
139 | NCM | 0.8889 |
140 | 3PP | 0.8885 |
141 | P2D | 0.8880 |
142 | HE2 | 0.8878 |
143 | DCL | 0.8878 |
144 | PPI | 0.8877 |
145 | ABA | 0.8877 |
146 | LEU | 0.8875 |
147 | GLY | 0.8875 |
148 | 2PN | 0.8874 |
149 | 1DU | 0.8865 |
150 | C5J | 0.8863 |
151 | 2RH | 0.8859 |
152 | ISU | 0.8856 |
153 | R3W | 0.8853 |
154 | PIS | 0.8849 |
155 | 6NA | 0.8849 |
156 | HSM | 0.8847 |
157 | HVQ | 0.8845 |
158 | JYD | 0.8845 |
159 | MZ0 | 0.8841 |
160 | AHR | 0.8841 |
161 | MET | 0.8839 |
162 | F3V | 0.8835 |
163 | MDN | 0.8834 |
164 | 2EZ | 0.8833 |
165 | FAH | 0.8833 |
166 | 1BP | 0.8826 |
167 | BVC | 0.8825 |
168 | THE | 0.8822 |
169 | HDA | 0.8819 |
170 | DZZ | 0.8812 |
171 | NIE | 0.8811 |
172 | CIZ | 0.8804 |
173 | BXA | 0.8796 |
174 | BVG | 0.8796 |
175 | DPF | 0.8792 |
176 | DAS | 0.8790 |
177 | MLT | 0.8789 |
178 | TEO | 0.8789 |
179 | AKR | 0.8783 |
180 | GOA | 0.8777 |
181 | E60 | 0.8772 |
182 | MSE | 0.8771 |
183 | GLV | 0.8758 |
184 | 23W | 0.8757 |
185 | ALO | 0.8750 |
186 | NMG | 0.8748 |
187 | R1X | 0.8748 |
188 | 2CO | 0.8738 |
189 | MED | 0.8738 |
190 | 2MH | 0.8738 |
191 | 4JU | 0.8738 |
192 | PXO | 0.8737 |
193 | MEU | 0.8735 |
194 | COI | 0.8731 |
195 | AKB | 0.8729 |
196 | FUM | 0.8726 |
197 | PYZ | 0.8726 |
198 | LMR | 0.8716 |
199 | BYZ | 0.8703 |
200 | 1DQ | 0.8690 |
201 | AMC | 0.8684 |
202 | 3CL | 0.8684 |
203 | CRD | 0.8679 |
204 | ES3 | 0.8679 |
205 | PG3 | 0.8674 |
206 | PAF | 0.8657 |
207 | NMU | 0.8652 |
208 | LDU | 0.8651 |
209 | TZZ | 0.8648 |
210 | OHG | 0.8644 |
211 | HVB | 0.8642 |
212 | SYN | 0.8639 |
213 | HZP | 0.8638 |
214 | 2PC | 0.8633 |
215 | 9A7 | 0.8632 |
216 | J3K | 0.8630 |
217 | MZW | 0.8617 |
218 | CEJ | 0.8612 |
219 | ABN | 0.8611 |
220 | 1CB | 0.8611 |
221 | CMS | 0.8610 |
222 | ATQ | 0.8609 |
223 | PYJ | 0.8594 |
224 | FSG | 0.8589 |
225 | OAA | 0.8584 |
226 | 13D | 0.8576 |
227 | 1MR | 0.8573 |
228 | BP9 | 0.8561 |
229 | CP2 | 0.8553 |
230 | PEP | 0.8539 |
231 | ICF | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 5a8r.bio2) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5a8r.bio2) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5a8r.bio2) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5a8r.bio2) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5a8r.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5a8r.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 5a8r.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 5a8r.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |