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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | OCT | 1 | 1 |
2 | D10 | 0.909091 | 1 |
3 | LFA | 0.909091 | 1 |
4 | R16 | 0.909091 | 1 |
5 | TWT | 0.909091 | 1 |
6 | MYS | 0.909091 | 1 |
7 | C14 | 0.909091 | 1 |
8 | UND | 0.909091 | 1 |
9 | 8K6 | 0.909091 | 1 |
10 | D12 | 0.909091 | 1 |
11 | DD9 | 0.909091 | 1 |
12 | TRD | 0.909091 | 1 |
13 | HP6 | 0.818182 | 0.916667 |
14 | HEX | 0.7 | 0.833333 |
15 | IHD | 0.555556 | 0.733333 |
16 | LNK | 0.545455 | 0.666667 |
17 | UPL | 0.47619 | 0.923077 |
18 | OYA | 0.47619 | 0.733333 |
19 | 8YP | 0.454545 | 0.733333 |
20 | UNA | 0.454545 | 0.733333 |
21 | OCD | 0.454545 | 0.733333 |
22 | 7CL | 0.4375 | 0.6 |
23 | 5BR | 0.4375 | 0.6 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HE4 | 1.0000 |
2 | BHL | 1.0000 |
3 | BHL BHL | 1.0000 |
4 | PG0 | 1.0000 |
5 | 16D | 0.9967 |
6 | AE3 | 0.9879 |
7 | HE2 | 0.9779 |
8 | 266 | 0.9721 |
9 | AG2 | 0.9650 |
10 | OC9 | 0.9627 |
11 | NSD | 0.9617 |
12 | 3OL | 0.9612 |
13 | 3OM | 0.9612 |
14 | 1KA | 0.9593 |
15 | 5XA | 0.9554 |
16 | MHN | 0.9519 |
17 | O8Y | 0.9501 |
18 | HPN | 0.9474 |
19 | YIV | 0.9469 |
20 | ACA | 0.9466 |
21 | KQY | 0.9462 |
22 | BHH | 0.9450 |
23 | N6C | 0.9446 |
24 | NTU | 0.9429 |
25 | SHV | 0.9425 |
26 | HTX | 0.9392 |
27 | ODI | 0.9346 |
28 | 4SD | 0.9345 |
29 | ORN | 0.9340 |
30 | PG3 | 0.9325 |
31 | 6NA | 0.9318 |
32 | DIA | 0.9310 |
33 | SPD | 0.9295 |
34 | SHO | 0.9294 |
35 | MET | 0.9289 |
36 | SIN | 0.9284 |
37 | IXW | 0.9280 |
38 | NBN | 0.9275 |
39 | DAV | 0.9275 |
40 | NMH | 0.9256 |
41 | LYS | 0.9242 |
42 | VKC | 0.9241 |
43 | SSB | 0.9221 |
44 | 011 | 0.9219 |
45 | 0VT | 0.9218 |
46 | AJ3 | 0.9200 |
47 | HX2 | 0.9200 |
48 | HPL | 0.9195 |
49 | PUT | 0.9188 |
50 | OCA | 0.9187 |
51 | 7BC | 0.9172 |
52 | 4HA | 0.9170 |
53 | 1SP | 0.9169 |
54 | 49F | 0.9166 |
55 | 0L1 | 0.9166 |
56 | 9J3 | 0.9152 |
57 | NWH | 0.9150 |
58 | MED | 0.9136 |
59 | XRG | 0.9131 |
60 | NLE | 0.9130 |
61 | OEG | 0.9125 |
62 | GLU | 0.9118 |
63 | AKG | 0.9113 |
64 | 6XA | 0.9109 |
65 | S8V | 0.9096 |
66 | NF3 | 0.9091 |
67 | GUA | 0.9091 |
68 | B3M | 0.9090 |
69 | PE9 | 0.9087 |
70 | AML | 0.9086 |
71 | GLY GLY | 0.9080 |
72 | OGA | 0.9078 |
73 | LEA | 0.9077 |
74 | M1T | 0.9073 |
75 | GLN | 0.9071 |
76 | K6V | 0.9066 |
77 | 98J | 0.9057 |
78 | DQY | 0.9042 |
79 | URP | 0.9036 |
80 | ONH | 0.9026 |
81 | 650 | 0.9024 |
82 | ONL | 0.9021 |
83 | 2CO | 0.8998 |
84 | MEQ | 0.8985 |
85 | DLY | 0.8980 |
86 | DGL | 0.8976 |
87 | OKG | 0.8974 |
88 | ENW | 0.8970 |
89 | ABU | 0.8965 |
90 | AL0 | 0.8959 |
91 | MSE | 0.8955 |
92 | SSN | 0.8953 |
93 | 7C3 | 0.8950 |
94 | MPJ | 0.8948 |
95 | LYN | 0.8943 |
96 | G3P | 0.8922 |
97 | ENV | 0.8914 |
98 | EOU | 0.8910 |
99 | CCU | 0.8907 |
100 | 64Z | 0.8906 |
101 | MLZ | 0.8906 |
102 | PGH | 0.8899 |
103 | X1R | 0.8890 |
104 | TEG | 0.8888 |
105 | MHO | 0.8888 |
106 | BUB | 0.8885 |
107 | 3HG | 0.8883 |
108 | GPJ | 0.8880 |
109 | GOJ | 0.8877 |
110 | UN1 | 0.8874 |
111 | 13P | 0.8868 |
112 | 3SS | 0.8863 |
113 | IP8 | 0.8862 |
114 | SLZ | 0.8860 |
115 | ZGL | 0.8860 |
116 | GLY ALA | 0.8858 |
117 | Q9Z | 0.8857 |
118 | 1SH | 0.8847 |
119 | 1H1 | 0.8845 |
120 | 1GP | 0.8842 |
121 | DE5 | 0.8841 |
122 | XYL | 0.8838 |
123 | DPF | 0.8829 |
124 | XLS | 0.8829 |
125 | ETX | 0.8828 |
126 | KMT | 0.8827 |
127 | 3YP | 0.8825 |
128 | KMH | 0.8824 |
129 | G3H | 0.8819 |
130 | R9M | 0.8791 |
131 | DGN | 0.8791 |
132 | FW5 | 0.8790 |
133 | OOG | 0.8780 |
134 | SKJ | 0.8776 |
135 | GP9 | 0.8776 |
136 | DPJ | 0.8773 |
137 | CUW | 0.8771 |
138 | GRQ | 0.8766 |
139 | GVA | 0.8761 |
140 | LTL | 0.8760 |
141 | BNF | 0.8758 |
142 | HGA | 0.8755 |
143 | H95 | 0.8750 |
144 | 2HG | 0.8750 |
145 | AT3 | 0.8748 |
146 | 9ON | 0.8748 |
147 | SGL | 0.8747 |
148 | CCE | 0.8745 |
149 | 2IT | 0.8744 |
150 | URO | 0.8744 |
151 | 11C | 0.8737 |
152 | CLT | 0.8735 |
153 | RBL | 0.8733 |
154 | DZA | 0.8728 |
155 | TCA | 0.8725 |
156 | 8SZ | 0.8717 |
157 | 3S5 | 0.8714 |
158 | ARG | 0.8710 |
159 | CCD | 0.8710 |
160 | 7UC | 0.8708 |
161 | CYX | 0.8705 |
162 | PSE | 0.8705 |
163 | RB5 | 0.8703 |
164 | LUQ | 0.8700 |
165 | 129 | 0.8697 |
166 | 2FM | 0.8694 |
167 | XAP | 0.8691 |
168 | GPF | 0.8689 |
169 | DIR | 0.8689 |
170 | OHJ | 0.8687 |
171 | PML | 0.8683 |
172 | CHH | 0.8679 |
173 | PKU | 0.8677 |
174 | KNA | 0.8675 |
175 | 4TB | 0.8674 |
176 | O45 | 0.8668 |
177 | 7XA | 0.8657 |
178 | S2G | 0.8655 |
179 | MEV | 0.8653 |
180 | GGL | 0.8645 |
181 | 258 | 0.8644 |
182 | HNE | 0.8625 |
183 | NM2 | 0.8616 |
184 | NM3 | 0.8616 |
185 | 4LR | 0.8616 |
186 | DAR | 0.8609 |
187 | YRL | 0.8608 |
188 | SME | 0.8608 |
189 | 268 | 0.8602 |
190 | I38 | 0.8591 |
191 | DHM | 0.8587 |
192 | HL5 | 0.8586 |
193 | AHN | 0.8584 |
194 | HC4 | 0.8570 |
195 | ACH | 0.8562 |
196 | PRA | 0.8555 |
197 | 9GB | 0.8548 |
This union binding pocket(no: 1) in the query (biounit: 2vdf.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |