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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 1205 families. | |||||
1 | 3KDI | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
2 | 3NR4 | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
3 | 5JNN | ic50 = 4504 nM | 6LM | C15 H22 O5 | C[C@@H](CC.... |
4 | 3NS2 | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
5 | 3NMP | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
6 | 3NMH | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
7 | 3NJ0 | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
8 | 3KB0 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
9 | 3NJ1 | - | P2M | C16 H14 N2 O2 S | c1ccc2c(c1.... |
10 | 4DSC | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
11 | 3OJI | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1039 families. | |||||
1 | 3KDI | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
2 | 3NR4 | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
3 | 5JNN | ic50 = 4504 nM | 6LM | C15 H22 O5 | C[C@@H](CC.... |
4 | 3NS2 | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
5 | 3NMP | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
6 | 3NMH | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
7 | 3NJ0 | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
8 | 3KB0 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
9 | 3NJ1 | - | P2M | C16 H14 N2 O2 S | c1ccc2c(c1.... |
10 | 5MOB | Kd = 90 uM | A8S | C15 H20 O4 | CC1=CC(=O).... |
11 | 3W9R | Kd = 0.66 uM | A8S | C15 H20 O4 | CC1=CC(=O).... |
12 | 3WG8 | - | 6AS | C21 H32 O4 S | CCCCCCSC1=.... |
13 | 3K3K | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
14 | 3K90 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
15 | 5YGV | - | 8V6 | C25 H30 O4 | Cc1ccc(cc1.... |
16 | 3NJO | - | P2M | C16 H14 N2 O2 S | c1ccc2c(c1.... |
17 | 5UR5 | - | 8KP | C18 H20 N2 O2 S | CCc1cc(cc(.... |
18 | 5UR6 | ic50 = 87 nM | 8KM | C18 H18 N2 O2 S | Cc1ccc(cc1.... |
19 | 3NEF | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
20 | 3JRS | Kd = 52 uM | A8S | C15 H20 O4 | CC1=CC(=O).... |
21 | 4DSC | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
22 | 3OJI | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6LM | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 5jnn.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2GBB | CIT | None |
2 | 1NU4 | MLA | None |
3 | 5WZU | 7W3 | None |
4 | 1DTL | BEP | None |
5 | 1MID | LAP | None |
6 | 2UXI | G50 | None |
7 | 5AIG | VPR | None |
8 | 2HO2 | PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU | None |
9 | 3GM5 | CIT | None |
10 | 4EES | FMN | None |
11 | 3KP6 | SAL | None |
12 | 4XF6 | ADP | None |
13 | 4XF6 | INS | None |
14 | 4XF6 | LIP | None |
15 | 4WG0 | CHD | None |
16 | 4JNJ | BTN | None |
17 | 3PMA | SCR | None |
18 | 1SWG | BTN | 1.5625 |
19 | 1OFZ | FUL | 1.57895 |
20 | 1YKD | CMP | 1.57895 |
21 | 1SBR | VIB | 1.57895 |
22 | 2IDO | TMP | 1.6129 |
23 | 4RP9 | ASC | 2.10526 |
24 | 3HP9 | CF1 | 2.10526 |
25 | 2C91 | TLA | 2.10526 |
26 | 1J3R | 6PG | 2.10526 |
27 | 5O5Y | GLC | 2.10526 |
28 | 5NDB | 8TW | 2.10526 |
29 | 5UC1 | 486 | 2.10526 |
30 | 5UGW | GSH | 2.28571 |
31 | 5M36 | 9SZ | 2.63158 |
32 | 4C2W | ANP | 2.63158 |
33 | 3X27 | TRP | 2.63158 |
34 | 4YZ5 | SLT | 2.63158 |
35 | 4L80 | OXL | 2.63158 |
36 | 2V95 | HCY | 2.63158 |
37 | 1T27 | PCW | 2.63158 |
38 | 5LWY | OLB | 2.80374 |
39 | 1OW4 | 2AN | 3.10078 |
40 | 6A0S | NDP | 3.15789 |
41 | 4TV1 | 36M | 3.15789 |
42 | 1R6N | 434 | 3.15789 |
43 | 3I27 | SID | 3.15789 |
44 | 2BHW | NEX | 3.15789 |
45 | 4MGA | 27L | 3.15789 |
46 | 1GVE | CIT | 3.15789 |
47 | 3FS1 | ALA ALA LEU ALA ALA LEU LEU ALA ALA | 3.15789 |
48 | 4MGB | XDH | 3.15789 |
49 | 5U97 | PIT | 3.15789 |
50 | 5MEX | SZZ | 3.15789 |
51 | 2ET1 | GLV | 3.15789 |
52 | 4RQL | SNE | 3.15789 |
53 | 3UUA | 0CZ | 3.15789 |
54 | 5AHS | COA | 3.15789 |
55 | 5DXG | EST | 3.15789 |
56 | 1W2D | ADP | 3.15789 |
57 | 4MGD | 27N | 3.15789 |
58 | 5ODT | ADP | 3.15789 |
59 | 5NW7 | 9C2 | 3.15789 |
60 | 5DX3 | EST | 3.15789 |
61 | 3I4X | DST | 3.15789 |
62 | 5WGQ | EST | 3.15789 |
63 | 5DXE | EST | 3.15789 |
64 | 2VK2 | GZL | 3.15789 |
65 | 3KU0 | ADE | 3.15789 |
66 | 5HYR | EST | 3.15789 |
67 | 3UUD | EST | 3.15789 |
68 | 2BP1 | FLC | 3.15789 |
69 | 6D6W | GCU | 3.15789 |
70 | 5IHE | D5M | 3.15789 |
71 | 2VRQ | XYP XYP AHR | 3.15789 |
72 | 2QA8 | GEN | 3.15789 |
73 | 5TFZ | 7BC | 3.33333 |
74 | 5U9J | GER | 3.5503 |
75 | 5W7B | MYR | 3.68421 |
76 | 4U0S | ADP | 3.68421 |
77 | 2QUN | FUD | 3.68421 |
78 | 4H2X | G5A | 3.68421 |
79 | 1WEI | ADE | 3.68421 |
80 | 4H2W | AMP | 3.68421 |
81 | 3RE4 | TO1 | 3.68421 |
82 | 4GCZ | FMN | 3.68421 |
83 | 2ZCQ | B65 | 3.68421 |
84 | 2QES | ADE | 3.68421 |
85 | 1OGX | EQU | 3.81679 |
86 | 3TDC | 0EU | 4.21053 |
87 | 6F6D | AKG | 4.21053 |
88 | 4MRP | GSH | 4.21053 |
89 | 1DKF | OLA | 4.21053 |
90 | 3NJ4 | AFX | 4.21053 |
91 | 3ETG | GWD | 4.21053 |
92 | 6ACS | CIT | 4.21053 |
93 | 5WS9 | ATP | 4.21053 |
94 | 2IF8 | ADP | 4.21053 |
95 | 5GNX | BGC | 4.21053 |
96 | 6F3G | CJN | 4.21053 |
97 | 4TVD | BGC | 4.21053 |
98 | 5LX9 | OLB | 4.22535 |
99 | 2WCV | FUC | 4.28571 |
100 | 1ONI | BEZ | 4.34783 |
101 | 2W9S | TOP | 4.34783 |
102 | 5UN9 | NHT | 4.73684 |
103 | 2WEL | K88 | 4.73684 |
104 | 2WKQ | FMN | 4.73684 |
105 | 6FTB | M0E | 4.73684 |
106 | 5EY0 | GTP | 4.73684 |
107 | 4DNJ | ANN | 4.73684 |
108 | 5FWE | OGA | 4.73684 |
109 | 5LY2 | OGA | 4.73684 |
110 | 2VN9 | GVD | 4.73684 |
111 | 4TQ3 | GPP | 4.73684 |
112 | 5KO1 | 6UY | 4.73684 |
113 | 1Q3A | NGH | 4.84848 |
114 | 6CB2 | OLC | 5.26316 |
115 | 1V8B | ADN | 5.26316 |
116 | 4BXF | AKG | 5.26316 |
117 | 4BLW | AMP | 5.26316 |
118 | 3BZ3 | YAM | 5.26316 |
119 | 2YJD | YJD | 5.26316 |
120 | 4D4U | FUC NDG GAL FUC | 5.26316 |
121 | 4J24 | EST | 5.26316 |
122 | 3O7U | O7U | 5.26316 |
123 | 2PR5 | FMN | 5.30303 |
124 | 2HFK | E4H | 5.78947 |
125 | 3B99 | U51 | 5.78947 |
126 | 4GNC | ASO | 5.78947 |
127 | 5A3T | MMK | 5.78947 |
128 | 3HCN | CHD | 5.78947 |
129 | 4H9T | HL4 | 5.78947 |
130 | 6CGN | DA | 5.78947 |
131 | 3OPT | AKG | 5.78947 |
132 | 3WW2 | SF6 | 5.78947 |
133 | 3WW2 | LPK | 5.78947 |
134 | 4Y3O | OGA | 5.78947 |
135 | 2ARC | ARA | 6.09756 |
136 | 2R0H | CTO | 6.09756 |
137 | 3N7S | 3N7 | 6.25 |
138 | 4Z1D | PEP | 6.31579 |
139 | 4F06 | PHB | 6.31579 |
140 | 3FAL | REA | 6.31579 |
141 | 2PZI | AXX | 6.31579 |
142 | 4MLN | ODV | 6.31579 |
143 | 5M4Q | PRO | 6.31579 |
144 | 1NSA | BEN | 6.31579 |
145 | 1EB9 | HBA | 6.31579 |
146 | 2VOT | NHV | 6.31579 |
147 | 2BCG | GER | 6.31579 |
148 | 2ZJ1 | ARJ | 6.31579 |
149 | 2ZJ1 | NAD | 6.31579 |
150 | 1XMY | ROL | 6.31579 |
151 | 1QW9 | KHP | 6.31579 |
152 | 4Y0X | ADP | 6.31579 |
153 | 4B1M | FRU FRU | 6.48649 |
154 | 1I06 | TZL | 6.66667 |
155 | 4D1J | DGJ | 6.84211 |
156 | 4YMJ | 4EJ | 6.84211 |
157 | 5JZJ | AN2 | 6.84211 |
158 | 1OYJ | GSH | 6.84211 |
159 | 4RF7 | ARG | 6.84211 |
160 | 6H8S | FSZ | 6.84211 |
161 | 3DLS | ADP | 6.84211 |
162 | 6GBV | FMN | 6.84932 |
163 | 1QY1 | PRZ | 6.89655 |
164 | 1RL4 | BL5 | 6.91489 |
165 | 2YIP | YIO | 7.24638 |
166 | 4B1L | FRU | 7.27273 |
167 | 3CV2 | OXL | 7.36842 |
168 | 5AVF | TAU | 7.36842 |
169 | 1ZED | PNP | 7.36842 |
170 | 3X01 | AMP | 7.36842 |
171 | 4WGF | HX2 | 7.36842 |
172 | 2HFP | NSI | 7.36842 |
173 | 5BVS | EIC | 7.57576 |
174 | 6C5F | 7L9 | 7.69231 |
175 | 3T50 | FMN | 7.8125 |
176 | 2CHT | TSA | 7.87402 |
177 | 3SUT | OAN | 7.89474 |
178 | 4DC2 | ADE | 7.89474 |
179 | 4Q9N | 0WE | 7.89474 |
180 | 5C1M | OLC | 8 |
181 | 4A34 | FUL | 8.16327 |
182 | 6CAY | ERG | 8.28402 |
183 | 2XN3 | ID8 | 8.42105 |
184 | 4OB6 | S2T | 8.42105 |
185 | 3ZJX | BOG | 8.42105 |
186 | 3HPY | MCT | 8.42105 |
187 | 4YFB | PAC | 8.42105 |
188 | 1I82 | BGC BGC | 8.46561 |
189 | 1SGJ | OAA | 8.94737 |
190 | 4BCM | T7Z | 8.94737 |
191 | 3ZXE | PGZ | 9.02256 |
192 | 2Y9G | LBT | 9.33333 |
193 | 2Y9G | LAT | 9.33333 |
194 | 4A38 | BZS | 9.47368 |
195 | 1I7E | IBS | 9.47368 |
196 | 4QDC | ASD | 9.47368 |
197 | 1C1L | GAL BGC | 9.48905 |
198 | 1ZGA | HMK | 10 |
199 | 3T7V | MD0 | 10 |
200 | 1CHM | CMS | 10 |
201 | 3CMJ | SRT | 10 |
202 | 5Z9S | BGC | 10 |
203 | 1Y75 | NAG | 10.1695 |
204 | 1YUC | EPH | 10.5263 |
205 | 5JSP | DQY | 10.5263 |
206 | 1POT | SPD | 10.5263 |
207 | 4R78 | AMP | 10.5263 |
208 | 3SAO | NKN | 10.625 |
209 | 3SAO | DBH | 10.625 |
210 | 4OGQ | 7PH | 10.8108 |
211 | 3GGF | GVD | 10.9635 |
212 | 3QP4 | HL0 | 10.989 |
213 | 5T9C | G3P | 11.0526 |
214 | 4RD0 | GDP | 11.0526 |
215 | 3FYP | PEP | 11.5789 |
216 | 5HCN | DAO | 11.5789 |
217 | 1F52 | ADP | 11.5789 |
218 | 3A51 | VDY | 11.5789 |
219 | 5TVM | PUT | 11.7647 |
220 | 3TL1 | JRO | 11.9497 |
221 | 4CNO | 9PY | 12.1053 |
222 | 5Y02 | MXN | 12.1495 |
223 | 5Y02 | HBX | 12.1495 |
224 | 1SQL | GUN | 12.3288 |
225 | 1J78 | OLA | 12.6316 |
226 | 4WOE | ADP | 12.6316 |
227 | 5VGS | 9A4 | 12.7389 |
228 | 5VGS | 9A7 | 12.7389 |
229 | 1OYF | MHN | 14.0496 |
230 | 2X05 | X05 | 14.2105 |
231 | 3QP8 | HL0 | 14.6739 |
232 | 4BFM | ANP | 14.7368 |
233 | 2GJ5 | VD3 | 14.8148 |
234 | 3RET | SAL | 14.8515 |
235 | 3RET | PYR | 14.8515 |
236 | 4O4Z | N2O | 14.9351 |
237 | 2V7O | DRN | 17.8947 |
238 | 1WMA | AB3 | 18.4211 |
239 | 3GC0 | AMP | 18.4211 |
240 | 2E40 | LGC | 18.9474 |
241 | 4QCK | ASD | 18.9474 |
242 | 2OZ5 | 7XY | 19.4737 |
243 | 5Z84 | CHD | 19.5652 |
244 | 5ZCO | CHD | 19.5652 |
245 | 5W97 | CHD | 19.5652 |
246 | 2UW1 | GVM | 21.0526 |
247 | 4PSB | GA3 | 22.5806 |
248 | 1VRP | ADP | 24.2105 |
249 | 6D5J | FV4 | 26.8421 |
250 | 6D5H | FV7 | 26.8421 |
251 | 6D5M | FW4 | 26.8421 |
252 | 6D59 | FVJ | 26.8421 |
253 | 6D5E | FVG | 26.8421 |
254 | 2Y69 | CHD | 27.1429 |
255 | 3HQR | OGA | 41.1765 |