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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 261 families. | |||||
1 | 6AID | - | 9YL | C5 H10 O3 | CCOC(=O)[C.... |
2 | 5ZRR | - | 9J3 | C6 H10 O4 | CCOC(=O)CC.... |
3 | 5ZRS | - | 9J6 | C8 H14 O4 | CCOC(=O)CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6AID | - | 9YL | C5 H10 O3 | CCOC(=O)[C.... |
2 | 6THT | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 5XH2 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
4 | 5XH3 | - | 856 | C11 H12 O5 | COC(=O)c1c.... |
5 | 5ZRR | - | 9J3 | C6 H10 O4 | CCOC(=O)CC.... |
6 | 5ZRS | - | 9J6 | C8 H14 O4 | CCOC(=O)CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9J6 | 1 | 1 |
2 | 9J3 | 0.580645 | 0.916667 |
3 | 0L1 | 0.538462 | 0.68 |
4 | PML | 0.5 | 0.72 |
5 | 6NA | 0.483871 | 0.653846 |
6 | AZ1 | 0.482759 | 0.692308 |
7 | SHV | 0.46875 | 0.692308 |
8 | OCA | 0.454545 | 0.666667 |
9 | 11A | 0.441176 | 0.666667 |
10 | DAO | 0.441176 | 0.666667 |
11 | KNA | 0.441176 | 0.666667 |
12 | PLM | 0.441176 | 0.666667 |
13 | F15 | 0.441176 | 0.666667 |
14 | DKA | 0.441176 | 0.666667 |
15 | EW8 | 0.441176 | 0.666667 |
16 | MYR | 0.441176 | 0.666667 |
17 | F23 | 0.441176 | 0.666667 |
18 | TDA | 0.441176 | 0.666667 |
19 | X90 | 0.441176 | 0.666667 |
20 | STE | 0.441176 | 0.666667 |
21 | DCR | 0.441176 | 0.666667 |
22 | SHO | 0.40625 | 0.653846 |
23 | 12H | 0.4 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4DI | 0.9467 |
2 | 6HN | 0.9409 |
3 | ALY | 0.9341 |
4 | API | 0.9330 |
5 | LPB | 0.9312 |
6 | ENV | 0.9296 |
7 | N8C | 0.9287 |
8 | ENW | 0.9272 |
9 | MLY | 0.9267 |
10 | ARG | 0.9255 |
11 | E8U | 0.9234 |
12 | SPD | 0.9225 |
13 | HRG | 0.9214 |
14 | IJ6 | 0.9207 |
15 | GVA | 0.9197 |
16 | GRQ | 0.9190 |
17 | M3L | 0.9185 |
18 | 011 | 0.9173 |
19 | NPI | 0.9168 |
20 | DHH | 0.9168 |
21 | XRX | 0.9168 |
22 | LPA | 0.9165 |
23 | D10 | 0.9149 |
24 | ODI | 0.9148 |
25 | OKP | 0.9137 |
26 | 4JK | 0.9124 |
27 | 8AC | 0.9122 |
28 | DAR | 0.9119 |
29 | TEG | 0.9113 |
30 | 7XA | 0.9106 |
31 | 4YZ | 0.9103 |
32 | EGV | 0.9100 |
33 | DIA | 0.9095 |
34 | 26P | 0.9088 |
35 | CLT | 0.9085 |
36 | GGG | 0.9080 |
37 | 6XA | 0.9069 |
38 | MLZ | 0.9064 |
39 | 5PV | 0.9056 |
40 | GGB | 0.9038 |
41 | FXY | 0.9035 |
42 | D53 | 0.9030 |
43 | DA2 | 0.9014 |
44 | HAR | 0.9008 |
45 | EXY | 0.9001 |
46 | 64Z | 0.8993 |
47 | XI7 | 0.8990 |
48 | OC9 | 0.8988 |
49 | MGB | 0.8987 |
50 | CIR | 0.8967 |
51 | RED | 0.8962 |
52 | KPV | 0.8959 |
53 | KAP | 0.8958 |
54 | ZZU | 0.8957 |
55 | 37Z | 0.8956 |
56 | JX7 | 0.8951 |
57 | A5P | 0.8945 |
58 | RGP | 0.8944 |
59 | HPL | 0.8940 |
60 | OKS | 0.8936 |
61 | 3KJ | 0.8935 |
62 | XOG | 0.8931 |
63 | 3GZ | 0.8920 |
64 | 1PS | 0.8904 |
65 | IAR | 0.8894 |
66 | NOT | 0.8891 |
67 | 58X | 0.8884 |
68 | NRG | 0.8883 |
69 | BZM | 0.8881 |
70 | M1T | 0.8875 |
71 | UN1 | 0.8874 |
72 | U4G | 0.8874 |
73 | N9M | 0.8870 |
74 | HNE | 0.8868 |
75 | MVH | 0.8865 |
76 | FZ3 | 0.8863 |
77 | DE1 | 0.8861 |
78 | 9VQ | 0.8850 |
79 | 0V7 | 0.8847 |
80 | DLT | 0.8847 |
81 | 4TB | 0.8844 |
82 | SB7 | 0.8843 |
83 | GLY GLY GLY | 0.8842 |
84 | ILO | 0.8840 |
85 | OYA | 0.8832 |
86 | JF5 | 0.8829 |
87 | OJD | 0.8829 |
88 | RES | 0.8827 |
89 | BGT | 0.8825 |
90 | IJ1 | 0.8819 |
91 | 2NP | 0.8817 |
92 | JKK | 0.8807 |
93 | MRU | 0.8798 |
94 | 0V8 | 0.8796 |
95 | 5RP | 0.8796 |
96 | HLP | 0.8795 |
97 | 6C5 | 0.8791 |
98 | NFZ | 0.8790 |
99 | 8SZ | 0.8790 |
100 | WT2 | 0.8787 |
101 | SZ7 | 0.8786 |
102 | LXP | 0.8781 |
103 | 5TO | 0.8780 |
104 | S0F | 0.8775 |
105 | AE3 | 0.8772 |
106 | DA3 | 0.8771 |
107 | S6P | 0.8769 |
108 | DNN | 0.8768 |
109 | KQY | 0.8768 |
110 | CUW | 0.8762 |
111 | 1AE | 0.8759 |
112 | PUW | 0.8757 |
113 | 37E | 0.8751 |
114 | OOG | 0.8741 |
115 | PRO GLY | 0.8740 |
116 | VUR | 0.8738 |
117 | 0QA | 0.8730 |
118 | QFJ | 0.8729 |
119 | HJD | 0.8727 |
120 | DX5 | 0.8722 |
121 | 11C | 0.8718 |
122 | LYS | 0.8717 |
123 | PMV | 0.8712 |
124 | C82 | 0.8712 |
125 | 2J3 | 0.8710 |
126 | 1N5 | 0.8709 |
127 | ZE7 | 0.8705 |
128 | J4K | 0.8701 |
129 | MF3 | 0.8701 |
130 | 6C8 | 0.8698 |
131 | AHL | 0.8697 |
132 | LL2 | 0.8695 |
133 | AG2 | 0.8693 |
134 | 6C4 | 0.8684 |
135 | TPM | 0.8679 |
136 | HPO | 0.8679 |
137 | A7Q | 0.8677 |
138 | Z70 | 0.8677 |
139 | KPC | 0.8677 |
140 | R5P | 0.8676 |
141 | P93 | 0.8673 |
142 | FB6 | 0.8665 |
143 | 3CX | 0.8663 |
144 | 6FR | 0.8661 |
145 | 6C9 | 0.8661 |
146 | DMA | 0.8658 |
147 | A8K | 0.8658 |
148 | 5OY | 0.8655 |
149 | ASF | 0.8652 |
150 | MHN | 0.8652 |
151 | HX8 | 0.8646 |
152 | 2FM | 0.8643 |
153 | BOW | 0.8637 |
154 | 6FG | 0.8633 |
155 | EPE | 0.8629 |
156 | SB9 | 0.8629 |
157 | YIE | 0.8621 |
158 | 9GB | 0.8618 |
159 | TX4 | 0.8613 |
160 | YPN | 0.8612 |
161 | 5KJ | 0.8612 |
162 | JPQ | 0.8611 |
163 | HPN | 0.8576 |
164 | M3B | 0.8565 |
165 | LUQ | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 5zrr.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |