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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 | 4XBY | - | 3ZS | C5 H8 O | C1C[C@@H]2.... |
2 | 5YNG | - | 3ZS | C5 H8 O | C1C[C@@H]2.... |
3 | 1NWW | - | HPN | C7 H15 N O | CCCCCCC(=O.... |
4 | 4XBT | - | 3ZQ | C6 H12 O2 | C1CC[C@@H].... |
5 | 5YQT | - | 3ZS | C5 H8 O | C1C[C@@H]2.... |
6 | 1NU3 | - | VPR | C8 H17 N O | CCCC(CCC)C.... |
7 | 4XDV | - | 40O | C6 H12 O2 | C1CC[C@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4XBY | - | 3ZS | C5 H8 O | C1C[C@@H]2.... |
2 | 5YNG | - | 3ZS | C5 H8 O | C1C[C@@H]2.... |
3 | 1NWW | - | HPN | C7 H15 N O | CCCCCCC(=O.... |
4 | 4XBT | - | 3ZQ | C6 H12 O2 | C1CC[C@@H].... |
5 | 5YQT | - | 3ZS | C5 H8 O | C1C[C@@H]2.... |
6 | 1NU3 | - | VPR | C8 H17 N O | CCCC(CCC)C.... |
7 | 4XDV | - | 40O | C6 H12 O2 | C1CC[C@H](.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AG2 | 0.9931 |
2 | N6C | 0.9917 |
3 | SHV | 0.9839 |
4 | MHN | 0.9806 |
5 | ACA | 0.9733 |
6 | HTX | 0.9646 |
7 | ONH | 0.9603 |
8 | 6XA | 0.9593 |
9 | LYS | 0.9586 |
10 | PG0 | 0.9568 |
11 | 6NA | 0.9566 |
12 | ORN | 0.9565 |
13 | MLZ | 0.9553 |
14 | 16D | 0.9546 |
15 | 5XA | 0.9525 |
16 | HE4 | 0.9514 |
17 | BHL | 0.9491 |
18 | BHL BHL | 0.9491 |
19 | OCA | 0.9489 |
20 | OCT | 0.9474 |
21 | VKC | 0.9469 |
22 | LYN | 0.9462 |
23 | CCU | 0.9461 |
24 | 650 | 0.9438 |
25 | 0L1 | 0.9422 |
26 | GLU | 0.9413 |
27 | MET | 0.9394 |
28 | AE3 | 0.9385 |
29 | PG3 | 0.9380 |
30 | 011 | 0.9379 |
31 | UN1 | 0.9374 |
32 | DAV | 0.9373 |
33 | SHO | 0.9371 |
34 | GP9 | 0.9368 |
35 | 3OL | 0.9353 |
36 | OYA | 0.9349 |
37 | 9J3 | 0.9340 |
38 | NSD | 0.9340 |
39 | 7C3 | 0.9333 |
40 | OGA | 0.9322 |
41 | GPJ | 0.9320 |
42 | NLE | 0.9318 |
43 | GLN | 0.9317 |
44 | 7BC | 0.9303 |
45 | 3OM | 0.9302 |
46 | AKG | 0.9291 |
47 | BHH | 0.9289 |
48 | NF3 | 0.9275 |
49 | OC9 | 0.9269 |
50 | 0VT | 0.9263 |
51 | SLZ | 0.9260 |
52 | DLY | 0.9256 |
53 | ONL | 0.9236 |
54 | MED | 0.9236 |
55 | GUA | 0.9234 |
56 | OKG | 0.9223 |
57 | 13P | 0.9222 |
58 | MPJ | 0.9204 |
59 | GLY GLY | 0.9200 |
60 | URP | 0.9196 |
61 | ENW | 0.9192 |
62 | B3M | 0.9190 |
63 | GPF | 0.9188 |
64 | BNF | 0.9181 |
65 | 7XA | 0.9178 |
66 | DGN | 0.9178 |
67 | PGH | 0.9176 |
68 | SSB | 0.9173 |
69 | LUQ | 0.9173 |
70 | KMT | 0.9165 |
71 | ZGL | 0.9164 |
72 | 9X6 | 0.9158 |
73 | OEG | 0.9155 |
74 | S8V | 0.9153 |
75 | OOG | 0.9147 |
76 | AHN | 0.9144 |
77 | 266 | 0.9142 |
78 | 7OD | 0.9140 |
79 | 49F | 0.9140 |
80 | MSE | 0.9135 |
81 | G3H | 0.9130 |
82 | DGL | 0.9129 |
83 | HE2 | 0.9127 |
84 | 64Z | 0.9125 |
85 | 1SH | 0.9117 |
86 | 3HG | 0.9116 |
87 | HP6 | 0.9115 |
88 | 4LR | 0.9111 |
89 | 3YP | 0.9108 |
90 | KMH | 0.9105 |
91 | PRA | 0.9101 |
92 | 2CO | 0.9099 |
93 | DZA | 0.9093 |
94 | 7UC | 0.9090 |
95 | DIR | 0.9082 |
96 | LTL | 0.9082 |
97 | 2IT | 0.9081 |
98 | CUW | 0.9074 |
99 | G3P | 0.9073 |
100 | EOU | 0.9067 |
101 | ODI | 0.9065 |
102 | URO | 0.9064 |
103 | IXW | 0.9061 |
104 | SPD | 0.9061 |
105 | NWH | 0.9053 |
106 | TEG | 0.9052 |
107 | CCD | 0.9050 |
108 | 2FM | 0.9044 |
109 | PML | 0.9039 |
110 | AT3 | 0.9039 |
111 | GVA | 0.9035 |
112 | 268 | 0.9035 |
113 | 3PG | 0.9033 |
114 | K6V | 0.9029 |
115 | 1GP | 0.9028 |
116 | 8SZ | 0.9017 |
117 | YIV | 0.9016 |
118 | DHM | 0.9016 |
119 | NMH | 0.9014 |
120 | 2HG | 0.9013 |
121 | M1T | 0.9013 |
122 | NTU | 0.9010 |
123 | GGL | 0.9010 |
124 | O45 | 0.9006 |
125 | DIA | 0.9002 |
126 | SME | 0.8997 |
127 | FOM | 0.8995 |
128 | PBN | 0.8990 |
129 | IP8 | 0.8984 |
130 | S2G | 0.8981 |
131 | 4TB | 0.8980 |
132 | 264 | 0.8978 |
133 | TCA | 0.8976 |
134 | AJ3 | 0.8976 |
135 | 1CO | 0.8975 |
136 | HGA | 0.8971 |
137 | X1R | 0.8969 |
138 | O8Y | 0.8966 |
139 | KNA | 0.8966 |
140 | HPL | 0.8959 |
141 | SIN | 0.8957 |
142 | NYL | 0.8955 |
143 | 3H2 | 0.8950 |
144 | ARG | 0.8947 |
145 | PC | 0.8946 |
146 | GRQ | 0.8946 |
147 | 3S5 | 0.8946 |
148 | SSC | 0.8945 |
149 | Q9Z | 0.8945 |
150 | 9GB | 0.8940 |
151 | DAR | 0.8936 |
152 | HSO | 0.8936 |
153 | 1KA | 0.8927 |
154 | LT1 | 0.8923 |
155 | 8AC | 0.8920 |
156 | HIS | 0.8918 |
157 | FXY | 0.8915 |
158 | R9M | 0.8915 |
159 | 1HS | 0.8914 |
160 | KPC | 0.8913 |
161 | MEQ | 0.8911 |
162 | HL5 | 0.8910 |
163 | NM3 | 0.8909 |
164 | 3LR | 0.8901 |
165 | 152 | 0.8893 |
166 | 9ON | 0.8892 |
167 | XIZ | 0.8890 |
168 | 11C | 0.8889 |
169 | MHO | 0.8887 |
170 | HPO | 0.8882 |
171 | RTK | 0.8881 |
172 | NM2 | 0.8872 |
173 | CCE | 0.8872 |
174 | I38 | 0.8871 |
175 | DE5 | 0.8869 |
176 | ENV | 0.8869 |
177 | CLT | 0.8868 |
178 | HIC | 0.8867 |
179 | HBU | 0.8865 |
180 | SSN | 0.8860 |
181 | EXY | 0.8860 |
182 | PHE | 0.8854 |
183 | PBA | 0.8850 |
184 | PO6 | 0.8844 |
185 | CXP | 0.8837 |
186 | 1N5 | 0.8836 |
187 | CHH | 0.8833 |
188 | HCI | 0.8825 |
189 | D10 | 0.8824 |
190 | E4P | 0.8809 |
191 | CYX | 0.8801 |
192 | MEV | 0.8800 |
193 | N8C | 0.8797 |
194 | 1H1 | 0.8793 |
195 | DHI | 0.8793 |
196 | CIR | 0.8790 |
197 | GGB | 0.8780 |
198 | AL0 | 0.8775 |
199 | MF3 | 0.8775 |
200 | XRG | 0.8773 |
201 | B3U | 0.8771 |
202 | TIU | 0.8761 |
203 | HL4 | 0.8749 |
204 | HC4 | 0.8747 |
205 | B40 | 0.8733 |
206 | NOT | 0.8725 |
207 | GVM | 0.8716 |
208 | MAH | 0.8711 |
209 | GLY GLY GLY | 0.8708 |
210 | FK8 | 0.8703 |
211 | 1X4 | 0.8703 |
212 | AMH | 0.8700 |
213 | 258 | 0.8700 |
214 | 6HN | 0.8698 |
215 | PEA | 0.8697 |
216 | MLY | 0.8695 |
217 | NPI | 0.8688 |
218 | HSM | 0.8682 |
219 | N4B | 0.8682 |
220 | PRO GLY | 0.8674 |
221 | DXP | 0.8670 |
222 | 8EW | 0.8668 |
223 | RNT | 0.8663 |
224 | IVL | 0.8662 |
225 | DKA | 0.8656 |
226 | DHH | 0.8643 |
227 | TIH | 0.8640 |
228 | NNH | 0.8637 |
229 | JX7 | 0.8636 |
230 | E79 | 0.8635 |
231 | ACH | 0.8629 |
232 | P80 | 0.8624 |
233 | P81 | 0.8623 |
234 | N9J | 0.8621 |
235 | ILO | 0.8620 |
236 | CPZ | 0.8615 |
237 | LPA | 0.8603 |
238 | 9J6 | 0.8576 |
239 | MES | 0.8548 |
This union binding pocket(no: 1) in the query (biounit: 1nww.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1nww.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |