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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4IXW | - | IXW | C6 H10 O3 | CCOC(=O)C[.... |
2 | 4IXT | - | 1H1 | C7 H11 N O3 | CCOC(=O)C[.... |
3 | 1ZMT | - | RNO | C8 H7 N O3 | c1cc(ccc1[.... |
4 | 1PX0 | - | RPN | C8 H8 N4 O3 | c1cc(ccc1[.... |
5 | 1PWZ | - | RSO | C8 H8 O | c1ccc(cc1).... |
6 | 1ZO8 | - | SNO | C8 H7 N O3 | c1cc(ccc1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4IXW | - | IXW | C6 H10 O3 | CCOC(=O)C[.... |
2 | 4IXT | - | 1H1 | C7 H11 N O3 | CCOC(=O)C[.... |
3 | 1ZMT | - | RNO | C8 H7 N O3 | c1cc(ccc1[.... |
4 | 1PX0 | - | RPN | C8 H8 N4 O3 | c1cc(ccc1[.... |
5 | 1PWZ | - | RSO | C8 H8 O | c1ccc(cc1).... |
6 | 1ZO8 | - | SNO | C8 H7 N O3 | c1cc(ccc1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1H1 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLY GLY GLY | 0.9292 |
2 | GRQ | 0.9255 |
3 | K6V | 0.9250 |
4 | OHJ | 0.9250 |
5 | KDG | 0.9170 |
6 | 64Z | 0.9166 |
7 | NWH | 0.9143 |
8 | SOR | 0.9135 |
9 | SOL | 0.9135 |
10 | ONH | 0.9121 |
11 | 8SZ | 0.9116 |
12 | 5XA | 0.9115 |
13 | MTL | 0.9114 |
14 | X1R | 0.9109 |
15 | XLS | 0.9092 |
16 | AE3 | 0.9087 |
17 | 3OL | 0.9086 |
18 | FUD | 0.9082 |
19 | 7BC | 0.9081 |
20 | OC9 | 0.9077 |
21 | NMH | 0.9057 |
22 | XYL | 0.9036 |
23 | HL5 | 0.9026 |
24 | ARG | 0.9002 |
25 | 3OM | 0.9002 |
26 | LYN | 0.8998 |
27 | NSD | 0.8992 |
28 | FXY | 0.8975 |
29 | PJL | 0.8974 |
30 | HSO | 0.8967 |
31 | LYS | 0.8961 |
32 | SSB | 0.8960 |
33 | PSJ | 0.8955 |
34 | OYA | 0.8944 |
35 | ALA ALA | 0.8927 |
36 | NTU | 0.8921 |
37 | SD4 | 0.8910 |
38 | ORN | 0.8907 |
39 | GLO | 0.8907 |
40 | AOS | 0.8902 |
41 | 3BU | 0.8901 |
42 | 069 | 0.8887 |
43 | D10 | 0.8887 |
44 | OCA | 0.8881 |
45 | BHH | 0.8878 |
46 | DLY | 0.8874 |
47 | 14W | 0.8872 |
48 | GLY ALA | 0.8863 |
49 | I38 | 0.8855 |
50 | 1N5 | 0.8853 |
51 | 58X | 0.8852 |
52 | AJ3 | 0.8845 |
53 | OCT | 0.8845 |
54 | TAG | 0.8841 |
55 | RBL | 0.8841 |
56 | SPD | 0.8840 |
57 | Q9Z | 0.8838 |
58 | AL0 | 0.8838 |
59 | 9J3 | 0.8837 |
60 | HPL | 0.8825 |
61 | AG2 | 0.8823 |
62 | DAR | 0.8815 |
63 | B3U | 0.8809 |
64 | PG0 | 0.8806 |
65 | LPK | 0.8802 |
66 | SDD | 0.8796 |
67 | PKU | 0.8795 |
68 | OOG | 0.8794 |
69 | HPN | 0.8793 |
70 | DZA | 0.8792 |
71 | ROR | 0.8784 |
72 | BHL | 0.8782 |
73 | DLT | 0.8774 |
74 | MEQ | 0.8774 |
75 | DVQ | 0.8774 |
76 | 5FX | 0.8773 |
77 | RB0 | 0.8770 |
78 | RB5 | 0.8770 |
79 | HIS | 0.8768 |
80 | XYH | 0.8766 |
81 | M1T | 0.8765 |
82 | GCO | 0.8749 |
83 | DIA | 0.8728 |
84 | FIX | 0.8727 |
85 | TIH | 0.8726 |
86 | 6XA | 0.8720 |
87 | MLZ | 0.8716 |
88 | CUW | 0.8716 |
89 | 7MU | 0.8708 |
90 | ENW | 0.8707 |
91 | ILO | 0.8706 |
92 | SHV | 0.8701 |
93 | HIC | 0.8700 |
94 | KQY | 0.8697 |
95 | ACA | 0.8695 |
96 | 7C3 | 0.8687 |
97 | 7MW | 0.8685 |
98 | GLR | 0.8683 |
99 | 7OD | 0.8671 |
100 | CIR | 0.8669 |
101 | SQV | 0.8668 |
102 | 3LR | 0.8658 |
103 | MHN | 0.8657 |
104 | 011 | 0.8653 |
105 | GGB | 0.8650 |
106 | ENV | 0.8648 |
107 | GVA | 0.8640 |
108 | SAF | 0.8638 |
109 | B3M | 0.8633 |
110 | BHL BHL | 0.8632 |
111 | 4A5 | 0.8631 |
112 | 263 | 0.8622 |
113 | 7UC | 0.8609 |
114 | 7XA | 0.8607 |
115 | O45 | 0.8583 |
116 | JX7 | 0.8572 |
117 | 3EB | 0.8565 |
118 | PML | 0.8562 |
119 | 11C | 0.8557 |
120 | MPJ | 0.8557 |
121 | STX | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 4ixw.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ixw.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4ixw.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4ixw.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |