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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 4 families. | |||||
1 | 5K3E | - | GOA | C2 H4 O3 | C(C(=O)O)O |
2 | 6QHW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
3 | 6QKW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
4 | 6QHU | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
5 | 3R3Z | - | GOA | C2 H4 O3 | C(C(=O)O)O |
6 | 5K3B | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
7 | 6QKU | - | GOA | C2 H4 O3 | C(C(=O)O)O |
8 | 6QI3 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 3R3X | - | BXA | C2 H3 Br O2 | C(C(=O)O)B.... |
10 | 6GXT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
11 | 6QHX | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
12 | 6QHT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
13 | 6QHS | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
14 | 6QI1 | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
15 | 6QHQ | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
16 | 6QKT | - | GOA | C2 H4 O3 | C(C(=O)O)O |
17 | 6QHV | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
18 | 3R3V | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
19 | 3R3W | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
20 | 6QI2 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
21 | 5SWN | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
22 | 6QHY | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
23 | 6GXD | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
24 | 6QI0 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3B12 | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
2 | 4B9E | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
3 | 5K3E | - | GOA | C2 H4 O3 | C(C(=O)O)O |
4 | 6QHW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
5 | 6QKW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
6 | 6QHU | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
7 | 3R3Z | - | GOA | C2 H4 O3 | C(C(=O)O)O |
8 | 5K3B | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
9 | 6QKU | - | GOA | C2 H4 O3 | C(C(=O)O)O |
10 | 6QI3 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
11 | 3R3X | - | BXA | C2 H3 Br O2 | C(C(=O)O)B.... |
12 | 6GXT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
13 | 6QHX | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
14 | 6QHT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
15 | 6QHS | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
16 | 6QI1 | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
17 | 6QHQ | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
18 | 6QKT | - | GOA | C2 H4 O3 | C(C(=O)O)O |
19 | 6QHV | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
20 | 3R3V | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
21 | 3R3W | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
22 | 6QI2 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
23 | 5SWN | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
24 | 6QHY | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
25 | 6GXD | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
26 | 6QI0 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLY | 1.0000 |
2 | MGX | 1.0000 |
3 | NHY | 1.0000 |
4 | AGU | 1.0000 |
5 | HAE | 1.0000 |
6 | NMU | 1.0000 |
7 | ATO | 1.0000 |
8 | 1BP | 1.0000 |
9 | ALA | 1.0000 |
10 | F3V | 1.0000 |
11 | 61G | 1.0000 |
12 | GOA | 1.0000 |
13 | HVB | 1.0000 |
14 | J3K | 1.0000 |
15 | 2A3 | 1.0000 |
16 | 2A1 | 1.0000 |
17 | AKR | 1.0000 |
18 | GLV | 1.0000 |
19 | NIE | 1.0000 |
20 | F50 | 1.0000 |
21 | TSZ | 0.9967 |
22 | PXO | 0.9897 |
23 | CP2 | 0.9868 |
24 | BRP | 0.9809 |
25 | NIS | 0.9795 |
26 | OXM | 0.9793 |
27 | BU4 | 0.9781 |
28 | 2OP | 0.9760 |
29 | GOL | 0.9754 |
30 | LAC | 0.9752 |
31 | OXL | 0.9751 |
32 | TCV | 0.9751 |
33 | OXD | 0.9748 |
34 | AOA | 0.9741 |
35 | NAK | 0.9705 |
36 | PYR | 0.9700 |
37 | HGY | 0.9689 |
38 | ALQ | 0.9681 |
39 | DAL | 0.9678 |
40 | 3OH | 0.9673 |
41 | 1CB | 0.9672 |
42 | BUA | 0.9672 |
43 | GXV | 0.9662 |
44 | HBR | 0.9662 |
45 | 6SP | 0.9658 |
46 | HBS | 0.9653 |
47 | SAR | 0.9642 |
48 | EGD | 0.9637 |
49 | IPA | 0.9618 |
50 | GBL | 0.9614 |
51 | MEU | 0.9610 |
52 | BAL | 0.9609 |
53 | PYM | 0.9604 |
54 | BUO | 0.9599 |
55 | BAQ | 0.9598 |
56 | 3ZS | 0.9596 |
57 | 9A4 | 0.9596 |
58 | BMD | 0.9586 |
59 | 4MZ | 0.9578 |
60 | 3GR | 0.9577 |
61 | 2MZ | 0.9576 |
62 | BUQ | 0.9574 |
63 | BEF | 0.9571 |
64 | ABA | 0.9569 |
65 | 5MP | 0.9566 |
66 | 2HA | 0.9557 |
67 | 78T | 0.9553 |
68 | 3MT | 0.9543 |
69 | 2AI | 0.9540 |
70 | HOW | 0.9538 |
71 | ACM | 0.9537 |
72 | ACT | 0.9535 |
73 | 3TR | 0.9533 |
74 | 5Y9 | 0.9532 |
75 | 2PO | 0.9532 |
76 | MMU | 0.9530 |
77 | CYS | 0.9528 |
78 | AF3 | 0.9524 |
79 | CRD | 0.9524 |
80 | MR3 | 0.9524 |
81 | 1MZ | 0.9523 |
82 | ATQ | 0.9517 |
83 | AMT | 0.9516 |
84 | EDO | 0.9514 |
85 | JZ6 | 0.9503 |
86 | XAP | 0.9496 |
87 | 5KX | 0.9495 |
88 | MTG | 0.9483 |
89 | SEY | 0.9483 |
90 | NOE | 0.9481 |
91 | BRJ | 0.9478 |
92 | 3CL | 0.9477 |
93 | AXO | 0.9468 |
94 | MZY | 0.9448 |
95 | TRI | 0.9445 |
96 | BYZ | 0.9441 |
97 | BUB | 0.9439 |
98 | SLP | 0.9433 |
99 | OSM | 0.9432 |
100 | PZO | 0.9430 |
101 | D2P | 0.9424 |
102 | IMD | 0.9423 |
103 | ALF | 0.9423 |
104 | ETF | 0.9421 |
105 | 9A7 | 0.9420 |
106 | ES3 | 0.9416 |
107 | 13D | 0.9408 |
108 | 3BB | 0.9378 |
109 | HUH | 0.9349 |
110 | PYZ | 0.9345 |
111 | VSO | 0.9324 |
112 | HSW | 0.9321 |
113 | TF4 | 0.9319 |
114 | QPT | 0.9316 |
115 | KCS | 0.9270 |
116 | 0CL | 0.9269 |
117 | MZ0 | 0.9266 |
118 | 2HP | 0.9255 |
119 | ITU | 0.9255 |
120 | TAN | 0.9244 |
121 | DSN | 0.9235 |
122 | THR | 0.9234 |
123 | CNH | 0.9229 |
124 | FW5 | 0.9227 |
125 | HYN | 0.9225 |
126 | 1AC | 0.9219 |
127 | TB0 | 0.9219 |
128 | MB3 | 0.9212 |
129 | SER | 0.9209 |
130 | B20 | 0.9203 |
131 | MSF | 0.9199 |
132 | 0PY | 0.9198 |
133 | BXO | 0.9197 |
134 | P1R | 0.9194 |
135 | TMO | 0.9187 |
136 | 3PY | 0.9181 |
137 | HSL | 0.9181 |
138 | XIX | 0.9181 |
139 | KG7 | 0.9177 |
140 | BNZ | 0.9177 |
141 | 2RA | 0.9173 |
142 | DGY | 0.9167 |
143 | 03W | 0.9167 |
144 | TBU | 0.9166 |
145 | DE2 | 0.9164 |
146 | FPO | 0.9163 |
147 | 7EX | 0.9158 |
148 | HUI | 0.9150 |
149 | PO4 | 0.9143 |
150 | HIU | 0.9139 |
151 | 3BR | 0.9138 |
152 | A2Q | 0.9136 |
153 | BF4 | 0.9131 |
154 | DXX | 0.9127 |
155 | 4AX | 0.9125 |
156 | A3B | 0.9125 |
157 | DBB | 0.9125 |
158 | PHZ | 0.9121 |
159 | 2KT | 0.9117 |
160 | SMB | 0.9116 |
161 | GB | 0.9113 |
162 | MMQ | 0.9110 |
163 | BVC | 0.9109 |
164 | MTD | 0.9105 |
165 | CYH | 0.9102 |
166 | CXL | 0.9102 |
167 | KSW | 0.9102 |
168 | CEJ | 0.9101 |
169 | BVG | 0.9100 |
170 | 03S | 0.9097 |
171 | IPH | 0.9095 |
172 | HAI | 0.9083 |
173 | 25T | 0.9079 |
174 | NVI | 0.9073 |
175 | MCH | 0.9069 |
176 | L60 | 0.9063 |
177 | 1SP | 0.9055 |
178 | 24T | 0.9052 |
179 | MMZ | 0.9046 |
180 | FJO | 0.9046 |
181 | PRI | 0.9034 |
182 | DTI | 0.9033 |
183 | DCY | 0.9030 |
184 | BTL | 0.9028 |
185 | DCE | 0.9023 |
186 | FUS | 0.9021 |
187 | ETX | 0.9020 |
188 | V1L | 0.9018 |
189 | C5J | 0.9017 |
190 | VN4 | 0.9017 |
191 | 9PO | 0.9015 |
192 | HVK | 0.9011 |
193 | 39J | 0.9005 |
194 | CHT | 0.9000 |
195 | LGA | 0.9000 |
196 | 2IM | 0.8999 |
197 | 2AP | 0.8993 |
198 | E60 | 0.8989 |
199 | 93B | 0.8985 |
200 | 4AP | 0.8982 |
201 | HVQ | 0.8982 |
202 | 3AP | 0.8975 |
203 | 2PA | 0.8969 |
204 | HRZ | 0.8967 |
205 | 8FH | 0.8966 |
206 | PUT | 0.8966 |
207 | MBN | 0.8962 |
208 | C2N | 0.8960 |
209 | DMG | 0.8958 |
210 | SGL | 0.8958 |
211 | ISU | 0.8956 |
212 | 2EZ | 0.8951 |
213 | DMI | 0.8947 |
214 | MLA | 0.8944 |
215 | WOT | 0.8941 |
216 | 1DH | 0.8939 |
217 | DSS | 0.8933 |
218 | ETM | 0.8931 |
219 | MLI | 0.8923 |
220 | XPO | 0.8923 |
221 | TAY | 0.8920 |
222 | HV2 | 0.8916 |
223 | PPF | 0.8916 |
224 | GXE | 0.8898 |
225 | HLT | 0.8886 |
226 | 8X3 | 0.8883 |
227 | TAU | 0.8882 |
228 | PIH | 0.8874 |
229 | 3HL | 0.8873 |
230 | 8CL | 0.8873 |
231 | MLM | 0.8865 |
232 | WO6 | 0.8852 |
233 | HHN | 0.8851 |
234 | 9XN | 0.8837 |
235 | 3HR | 0.8835 |
236 | COM | 0.8833 |
237 | 2HE | 0.8829 |
238 | POA | 0.8829 |
239 | IVA | 0.8822 |
240 | AAE | 0.8803 |
241 | P7I | 0.8786 |
242 | TTO | 0.8784 |
243 | HGW | 0.8783 |
244 | ART | 0.8767 |
245 | 9SB | 0.8744 |
246 | P2D | 0.8731 |
247 | PEJ | 0.8717 |
248 | 280 | 0.8603 |
249 | EFS | 0.8564 |
This union binding pocket(no: 1) in the query (biounit: 3r3v.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |