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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 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 6LIO | Kd = 64.4 nM | EH3 | C30 H34 Cl N3 O9 S | CS(=O)(=O).... |
4 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
5 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
6 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
7 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
8 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
9 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
10 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
11 | 5J6A | Kd = 22 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
12 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
14 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
16 | 6LIL | - | EGX | C22 H19 N3 O2 | c1ccc2c(c1.... |
17 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
18 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
19 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
20 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
21 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 6LIO | Kd = 64.4 nM | EH3 | C30 H34 Cl N3 O9 S | CS(=O)(=O).... |
4 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
5 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
6 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
7 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
8 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
9 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
10 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
11 | 5J6A | Kd = 22 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
12 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
14 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
16 | 6LIL | - | EGX | C22 H19 N3 O2 | c1ccc2c(c1.... |
17 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
18 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
19 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
20 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
21 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALQ | 0.9906 |
2 | HBS | 0.9903 |
3 | PYR | 0.9897 |
4 | LAC | 0.9863 |
5 | DAL | 0.9854 |
6 | ALA | 0.9849 |
7 | HGY | 0.9847 |
8 | 2OP | 0.9825 |
9 | HBR | 0.9821 |
10 | OXM | 0.9811 |
11 | OXL | 0.9800 |
12 | NIS | 0.9780 |
13 | OXD | 0.9780 |
14 | 5Y9 | 0.9743 |
15 | NAK | 0.9723 |
16 | BUO | 0.9665 |
17 | PYM | 0.9633 |
18 | SER | 0.9582 |
19 | DSN | 0.9570 |
20 | HUI | 0.9562 |
21 | CYS | 0.9556 |
22 | MB3 | 0.9548 |
23 | ALF | 0.9514 |
24 | MMZ | 0.9498 |
25 | SMB | 0.9476 |
26 | DMI | 0.9446 |
27 | HLT | 0.9445 |
28 | HIU | 0.9438 |
29 | C2N | 0.9427 |
30 | A3B | 0.9425 |
31 | DXX | 0.9422 |
32 | DCY | 0.9410 |
33 | DE2 | 0.9409 |
34 | 4AX | 0.9407 |
35 | 1AC | 0.9401 |
36 | R3W | 0.9400 |
37 | DGY | 0.9398 |
38 | 3PY | 0.9398 |
39 | GLY | 0.9390 |
40 | 2RA | 0.9389 |
41 | 03W | 0.9383 |
42 | F3V | 0.9379 |
43 | NIE | 0.9378 |
44 | ABA | 0.9377 |
45 | PPI | 0.9363 |
46 | 61G | 0.9363 |
47 | BUA | 0.9362 |
48 | DTI | 0.9361 |
49 | BAL | 0.9356 |
50 | 2KT | 0.9349 |
51 | AOA | 0.9343 |
52 | BU4 | 0.9338 |
53 | BRP | 0.9335 |
54 | HSL | 0.9331 |
55 | KG7 | 0.9330 |
56 | DBB | 0.9329 |
57 | TAY | 0.9326 |
58 | FAH | 0.9319 |
59 | GOA | 0.9313 |
60 | 3HL | 0.9308 |
61 | TSZ | 0.9307 |
62 | GLV | 0.9301 |
63 | F50 | 0.9294 |
64 | BUB | 0.9287 |
65 | THR | 0.9284 |
66 | 3HR | 0.9282 |
67 | 2A1 | 0.9273 |
68 | MLA | 0.9272 |
69 | 2A3 | 0.9263 |
70 | HAE | 0.9260 |
71 | 3OH | 0.9245 |
72 | 3BB | 0.9237 |
73 | AKR | 0.9235 |
74 | SAR | 0.9230 |
75 | MLM | 0.9224 |
76 | BUQ | 0.9218 |
77 | BXA | 0.9207 |
78 | AGU | 0.9199 |
79 | 1BP | 0.9184 |
80 | 3MT | 0.9177 |
81 | CP2 | 0.9175 |
82 | ATO | 0.9169 |
83 | HVB | 0.9169 |
84 | GOL | 0.9165 |
85 | MLI | 0.9162 |
86 | AMT | 0.9160 |
87 | TCV | 0.9149 |
88 | PPF | 0.9147 |
89 | ATQ | 0.9145 |
90 | HSW | 0.9143 |
91 | BAQ | 0.9140 |
92 | NHY | 0.9135 |
93 | SLP | 0.9131 |
94 | 3GR | 0.9125 |
95 | MTG | 0.9116 |
96 | MGX | 0.9111 |
97 | NMU | 0.9104 |
98 | EGD | 0.9098 |
99 | DCD | 0.9092 |
100 | KSW | 0.9079 |
101 | 9A4 | 0.9073 |
102 | 23W | 0.9069 |
103 | GBL | 0.9063 |
104 | 1CB | 0.9060 |
105 | 6SP | 0.9060 |
106 | 7EX | 0.9055 |
107 | 2HA | 0.9046 |
108 | GXV | 0.9045 |
109 | C5J | 0.9043 |
110 | BNZ | 0.9043 |
111 | HV2 | 0.9025 |
112 | ETF | 0.9022 |
113 | D2P | 0.9019 |
114 | LER | 0.9018 |
115 | 3CL | 0.9012 |
116 | 3ZS | 0.9010 |
117 | 8FH | 0.9009 |
118 | B20 | 0.9003 |
119 | E60 | 0.9001 |
120 | 3TR | 0.9000 |
121 | 5MP | 0.9000 |
122 | 0PY | 0.8992 |
123 | 4MZ | 0.8990 |
124 | IPH | 0.8984 |
125 | 938 | 0.8980 |
126 | DTL | 0.8979 |
127 | IVA | 0.8978 |
128 | J3K | 0.8973 |
129 | DMG | 0.8971 |
130 | 280 | 0.8968 |
131 | 2IM | 0.8964 |
132 | 24T | 0.8961 |
133 | PHZ | 0.8960 |
134 | HOW | 0.8960 |
135 | P1R | 0.8957 |
136 | MRY | 0.8957 |
137 | 3ZQ | 0.8956 |
138 | AAE | 0.8955 |
139 | PXO | 0.8951 |
140 | BEW | 0.8951 |
141 | PYZ | 0.8950 |
142 | 5KX | 0.8950 |
143 | 1MZ | 0.8950 |
144 | 76X | 0.8950 |
145 | OXE | 0.8943 |
146 | JZ6 | 0.8940 |
147 | ES3 | 0.8930 |
148 | 2MZ | 0.8930 |
149 | BYZ | 0.8930 |
150 | L89 | 0.8930 |
151 | 2AF | 0.8925 |
152 | 93Q | 0.8923 |
153 | ETM | 0.8922 |
154 | YAN | 0.8913 |
155 | MR3 | 0.8910 |
156 | CAQ | 0.8908 |
157 | 4XX | 0.8906 |
158 | 2AI | 0.8900 |
159 | MEU | 0.8899 |
160 | 40O | 0.8899 |
161 | 2CH | 0.8890 |
162 | 9PO | 0.8888 |
163 | 1AN | 0.8882 |
164 | 4DX | 0.8880 |
165 | 8LG | 0.8880 |
166 | HTS | 0.8880 |
167 | L60 | 0.8880 |
168 | V1L | 0.8877 |
169 | FP2 | 0.8872 |
170 | A2Q | 0.8869 |
171 | ITU | 0.8862 |
172 | CHT | 0.8852 |
173 | CEJ | 0.8849 |
174 | 92Z | 0.8844 |
175 | HVK | 0.8840 |
176 | CXL | 0.8840 |
177 | 285 | 0.8834 |
178 | 2AP | 0.8831 |
179 | XAP | 0.8829 |
180 | CYH | 0.8829 |
181 | SSN | 0.8821 |
182 | TMZ | 0.8820 |
183 | LGA | 0.8820 |
184 | HRZ | 0.8819 |
185 | CNH | 0.8817 |
186 | MBN | 0.8811 |
187 | 2HE | 0.8810 |
188 | 6X8 | 0.8806 |
189 | IMD | 0.8800 |
190 | VAL | 0.8795 |
191 | 3AP | 0.8790 |
192 | 4AP | 0.8790 |
193 | MZY | 0.8786 |
194 | HAI | 0.8779 |
195 | 278 | 0.8776 |
196 | PZO | 0.8774 |
197 | TMT | 0.8772 |
198 | 8CL | 0.8770 |
199 | 93B | 0.8770 |
200 | 192 | 0.8767 |
201 | TAN | 0.8766 |
202 | MZ0 | 0.8759 |
203 | MSF | 0.8759 |
204 | GXE | 0.8750 |
205 | TTO | 0.8750 |
206 | XIX | 0.8750 |
207 | H3M | 0.8750 |
208 | HUH | 0.8741 |
209 | TRI | 0.8740 |
210 | HCS | 0.8727 |
211 | 25T | 0.8726 |
212 | HYN | 0.8724 |
213 | PIH | 0.8720 |
214 | HPY | 0.8708 |
215 | PRS | 0.8703 |
216 | 8X3 | 0.8702 |
217 | ODV | 0.8700 |
218 | DPR | 0.8699 |
219 | DUC | 0.8690 |
220 | ISU | 0.8687 |
221 | URA | 0.8687 |
222 | MMQ | 0.8684 |
223 | AKB | 0.8683 |
224 | DTU | 0.8681 |
225 | 26D | 0.8679 |
226 | BAE | 0.8674 |
227 | MMU | 0.8670 |
228 | PRO | 0.8668 |
229 | 73M | 0.8666 |
230 | HSE | 0.8665 |
231 | BVG | 0.8661 |
232 | KIV | 0.8644 |
233 | P7I | 0.8640 |
234 | FMS | 0.8637 |
235 | DAB | 0.8634 |
236 | TAU | 0.8632 |
237 | CRS | 0.8632 |
238 | ALO | 0.8618 |
239 | PRI | 0.8615 |
240 | NVI | 0.8606 |
241 | RP7 | 0.8598 |
242 | POA | 0.8598 |
243 | NEQ | 0.8597 |
244 | MTD | 0.8595 |
245 | IDH | 0.8585 |
246 | ICN | 0.8582 |
247 | 1DH | 0.8570 |
248 | FCN | 0.8551 |
249 | 1XX | 0.8536 |
250 | PAE | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 2q8g.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2q8g.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |