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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1W31 | Ki = 0.25 mM | SHO | C5 H10 O3 | C(CCO)CC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1W31 | Ki = 0.25 mM | SHO | C5 H10 O3 | C(CCO)CC(=.... |
2 | 5MHB | - | PBG | C10 H14 N2 O4 | c1c(c(c([n.... |
3 | 3OBK | - | PBG | C10 H14 N2 O4 | c1c(c(c([n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SHO | 1 | 1 |
2 | 12H | 0.68 | 0.904762 |
3 | 0L1 | 0.65 | 0.761905 |
4 | PML | 0.590909 | 0.727273 |
5 | AZ1 | 0.565217 | 0.695652 |
6 | 3OH | 0.52381 | 0.761905 |
7 | ACA | 0.518519 | 0.653846 |
8 | 011 | 0.5 | 0.62963 |
9 | DAV | 0.5 | 0.653846 |
10 | GUA | 0.5 | 0.714286 |
11 | 8AC | 0.482759 | 0.62963 |
12 | ABU | 0.44 | 0.64 |
13 | BRC | 0.433333 | 0.652174 |
14 | SIN | 0.428571 | 0.619048 |
15 | 9J6 | 0.40625 | 0.653846 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HTX | 0.9945 |
2 | 6NA | 0.9866 |
3 | VKC | 0.9699 |
4 | DQY | 0.9663 |
5 | FUM | 0.9585 |
6 | PG3 | 0.9552 |
7 | LEA | 0.9528 |
8 | GLU | 0.9525 |
9 | 3OM | 0.9524 |
10 | HSE | 0.9524 |
11 | OKG | 0.9496 |
12 | SHV | 0.9471 |
13 | KQY | 0.9464 |
14 | 4MV | 0.9463 |
15 | LMR | 0.9456 |
16 | SSN | 0.9450 |
17 | YIV | 0.9392 |
18 | 0VT | 0.9385 |
19 | GLN | 0.9378 |
20 | 16D | 0.9376 |
21 | 5XA | 0.9374 |
22 | HPN | 0.9371 |
23 | BUB | 0.9366 |
24 | AKG | 0.9363 |
25 | A8C | 0.9361 |
26 | ORN | 0.9361 |
27 | S2G | 0.9356 |
28 | HP6 | 0.9355 |
29 | AG2 | 0.9351 |
30 | OEG | 0.9348 |
31 | 9X7 | 0.9344 |
32 | KMT | 0.9336 |
33 | HDA | 0.9334 |
34 | O8Y | 0.9333 |
35 | 49F | 0.9324 |
36 | MED | 0.9322 |
37 | HSM | 0.9319 |
38 | 3OL | 0.9314 |
39 | HX2 | 0.9307 |
40 | OCT | 0.9294 |
41 | MET | 0.9294 |
42 | NLE | 0.9287 |
43 | GLY GLY | 0.9282 |
44 | 2HG | 0.9269 |
45 | LEU | 0.9263 |
46 | ASP | 0.9259 |
47 | NVA | 0.9258 |
48 | 3SS | 0.9248 |
49 | HE2 | 0.9247 |
50 | OGA | 0.9246 |
51 | MLT | 0.9243 |
52 | PGA | 0.9241 |
53 | DGL | 0.9239 |
54 | URP | 0.9236 |
55 | OAA | 0.9232 |
56 | 4SD | 0.9228 |
57 | S8V | 0.9226 |
58 | HCS | 0.9226 |
59 | PEA | 0.9220 |
60 | N6C | 0.9220 |
61 | 650 | 0.9214 |
62 | 1KA | 0.9203 |
63 | LYS | 0.9188 |
64 | 4HA | 0.9188 |
65 | ASN | 0.9188 |
66 | OPE | 0.9187 |
67 | 13P | 0.9182 |
68 | 266 | 0.9182 |
69 | TEO | 0.9181 |
70 | MHN | 0.9177 |
71 | PUT | 0.9155 |
72 | G3P | 0.9153 |
73 | PEL | 0.9137 |
74 | 2IT | 0.9136 |
75 | HY1 | 0.9133 |
76 | 2CO | 0.9131 |
77 | ZGL | 0.9128 |
78 | X1S | 0.9120 |
79 | JYD | 0.9109 |
80 | ILE | 0.9107 |
81 | BXO | 0.9100 |
82 | KMH | 0.9093 |
83 | BNF | 0.9091 |
84 | 69O | 0.9091 |
85 | URO | 0.9091 |
86 | NF3 | 0.9088 |
87 | 7BC | 0.9088 |
88 | CXF | 0.9084 |
89 | 7C3 | 0.9083 |
90 | 1DU | 0.9081 |
91 | R9M | 0.9071 |
92 | GPJ | 0.9066 |
93 | NTU | 0.9065 |
94 | SHF | 0.9065 |
95 | DE5 | 0.9064 |
96 | CEE | 0.9063 |
97 | AT3 | 0.9062 |
98 | PE9 | 0.9062 |
99 | HSO | 0.9061 |
100 | NYL | 0.9060 |
101 | GPF | 0.9060 |
102 | 9ON | 0.9053 |
103 | SSB | 0.9052 |
104 | FAN | 0.9051 |
105 | IXW | 0.9046 |
106 | PG0 | 0.9044 |
107 | DGN | 0.9044 |
108 | IP8 | 0.9044 |
109 | SD4 | 0.9042 |
110 | XYL | 0.9040 |
111 | 1SH | 0.9039 |
112 | XLS | 0.9035 |
113 | ONH | 0.9032 |
114 | PRA | 0.9031 |
115 | XRG | 0.9026 |
116 | 6JN | 0.9016 |
117 | 3S5 | 0.9014 |
118 | 271 | 0.9014 |
119 | 268 | 0.9014 |
120 | EOU | 0.9011 |
121 | N4B | 0.9006 |
122 | 7CL | 0.8997 |
123 | M6W | 0.8997 |
124 | TIU | 0.8994 |
125 | 98J | 0.8993 |
126 | ISZ | 0.8991 |
127 | MEV | 0.8988 |
128 | 258 | 0.8987 |
129 | H95 | 0.8984 |
130 | AL0 | 0.8982 |
131 | AEF | 0.8979 |
132 | G3H | 0.8972 |
133 | CCE | 0.8971 |
134 | 3PP | 0.8970 |
135 | A20 | 0.8970 |
136 | 40E | 0.8970 |
137 | TZL | 0.8968 |
138 | LNO | 0.8964 |
139 | MEQ | 0.8963 |
140 | OK7 | 0.8959 |
141 | PGH | 0.8958 |
142 | ZBT | 0.8952 |
143 | THE | 0.8949 |
144 | CCD | 0.8944 |
145 | BP9 | 0.8938 |
146 | RTK | 0.8936 |
147 | GGL | 0.8935 |
148 | 3HG | 0.8932 |
149 | MSE | 0.8927 |
150 | PHU | 0.8926 |
151 | CHH | 0.8925 |
152 | BHL | 0.8923 |
153 | URS | 0.8923 |
154 | SPV | 0.8917 |
155 | GLY ALA | 0.8915 |
156 | 717 | 0.8909 |
157 | 264 | 0.8906 |
158 | GP9 | 0.8903 |
159 | LT1 | 0.8902 |
160 | PO6 | 0.8900 |
161 | 9X6 | 0.8899 |
162 | 1GP | 0.8898 |
163 | FEH | 0.8896 |
164 | IHG | 0.8896 |
165 | NM2 | 0.8895 |
166 | 8EW | 0.8893 |
167 | GJZ | 0.8881 |
168 | LYN | 0.8873 |
169 | DLY | 0.8867 |
170 | AML | 0.8860 |
171 | MZW | 0.8860 |
172 | NIZ | 0.8858 |
173 | BHL BHL | 0.8854 |
174 | O45 | 0.8851 |
175 | 1CO | 0.8844 |
176 | 4LR | 0.8843 |
177 | FK8 | 0.8839 |
178 | RBJ | 0.8838 |
179 | 6XA | 0.8833 |
180 | MPJ | 0.8831 |
181 | 5BR | 0.8828 |
182 | 129 | 0.8821 |
183 | CCU | 0.8814 |
184 | JZ7 | 0.8812 |
185 | 7WG | 0.8808 |
186 | XBT | 0.8806 |
187 | 3PG | 0.8805 |
188 | I4B | 0.8802 |
189 | XAP | 0.8800 |
190 | J9N | 0.8797 |
191 | PZM | 0.8794 |
192 | 2RH | 0.8793 |
193 | NM3 | 0.8784 |
194 | 4FA | 0.8772 |
195 | YRL | 0.8769 |
196 | PHE | 0.8762 |
197 | CYX | 0.8760 |
198 | BHH | 0.8752 |
199 | TPA | 0.8751 |
200 | MHO | 0.8745 |
201 | ETX | 0.8745 |
202 | GOJ | 0.8742 |
203 | DYA | 0.8735 |
204 | AHN | 0.8724 |
205 | M4T | 0.8724 |
206 | 9YL | 0.8719 |
207 | NSD | 0.8716 |
208 | M45 | 0.8712 |
209 | 3YP | 0.8705 |
210 | CSS | 0.8691 |
211 | SGL | 0.8689 |
212 | B3M | 0.8684 |
213 | PZI | 0.8677 |
214 | LDP | 0.8677 |
215 | MAH | 0.8672 |
216 | SLP | 0.8667 |
217 | SKJ | 0.8657 |
218 | PNZ | 0.8657 |
219 | HG3 | 0.8651 |
220 | ENW | 0.8651 |
221 | OCA | 0.8648 |
222 | PBA | 0.8633 |
223 | 8GL | 0.8618 |
224 | HL5 | 0.8617 |
225 | DZA | 0.8614 |
226 | YPN | 0.8596 |
227 | OC9 | 0.8591 |
228 | 5FX | 0.8570 |
229 | LTL | 0.8558 |
230 | OOG | 0.8555 |
231 | 2BG | 0.8535 |
232 | ONL | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1w31.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |