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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 4 families. | |||||
1 | 1NQX | - | RLP | C14 H18 N4 O9 | C(CC(=O)O).... |
2 | 1NQU | - | RDL | C11 H14 N4 O8 | C([C@@H]([.... |
3 | 1NQW | - | 5YL | C14 H26 N3 O9 P | C(CCC1=C(N.... |
4 | 1NQV | - | LMZ | C9 H14 N4 O7 | C([C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4KQ6 | - | DLZ | C13 H18 N4 O6 | CC1=C(N(C2.... |
2 | 2C97 | Ka = 1380000 M^-1 | JCL | C8 H12 Cl N2 O6 P | C(CCOP(=O).... |
3 | 2C94 | Ka = 6540000 M^-1 | TSF | C15 H23 F2 N4 O10 P | C(CCN1C2=C.... |
4 | 1W19 | - | T1P | C13 H21 N4 O11 P | C(CN1C2=C(.... |
5 | 2C92 | Ka = 474900 M^-1 | TP6 | C15 H25 N4 O11 P | C(CCN1C2=C.... |
6 | 2VI5 | Ki = 110 uM | Y19 | C12 H20 N4 O7 | CCC(=O)N[C.... |
7 | 1W29 | - | TS0 | C14 H23 N4 O11 P | C(CCOP(=O).... |
8 | 1NQX | - | RLP | C14 H18 N4 O9 | C(CC(=O)O).... |
9 | 1NQU | - | RDL | C11 H14 N4 O8 | C([C@@H]([.... |
10 | 1NQW | - | 5YL | C14 H26 N3 O9 P | C(CCC1=C(N.... |
11 | 1NQV | - | LMZ | C9 H14 N4 O7 | C([C@@H]([.... |
12 | 1RVV | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
13 | 1KYV | Kd = 1.2 uM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
14 | 1KYY | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
15 | 1EJB | - | INJ | C14 H26 N3 O9 P | C(CCc1c(nc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DLZ | 0.9877 |
2 | 1VY | 0.9727 |
3 | LMZ | 0.9251 |
4 | Y18 | 0.9090 |
5 | INI | 0.9086 |
6 | APQ | 0.9014 |
7 | BJ4 | 0.9004 |
8 | BHB | 0.8995 |
9 | E9L | 0.8992 |
10 | AIQ | 0.8977 |
11 | CDJ | 0.8964 |
12 | NE8 | 0.8964 |
13 | H2W | 0.8963 |
14 | W8L | 0.8962 |
15 | FO1 | 0.8962 |
16 | SGW | 0.8941 |
17 | M3W | 0.8933 |
18 | RBF | 0.8932 |
19 | QUE | 0.8930 |
20 | TQ4 | 0.8915 |
21 | 2H4 | 0.8914 |
22 | VT3 | 0.8912 |
23 | CRZ | 0.8884 |
24 | KMB | 0.8875 |
25 | HDF | 0.8866 |
26 | VAR | 0.8865 |
27 | YEX | 0.8865 |
28 | C3G | 0.8864 |
29 | 6XC | 0.8858 |
30 | Y17 | 0.8858 |
31 | X8E | 0.8844 |
32 | 43O | 0.8834 |
33 | FVV | 0.8826 |
34 | KMP | 0.8823 |
35 | 5WW | 0.8822 |
36 | RLP | 0.8808 |
37 | UX0 | 0.8797 |
38 | E2R | 0.8794 |
39 | NEZ | 0.8791 |
40 | 5PK | 0.8791 |
41 | 74Z | 0.8779 |
42 | UI2 | 0.8775 |
43 | TQ1 | 0.8775 |
44 | BHF | 0.8769 |
45 | TCW | 0.8763 |
46 | 5NN | 0.8757 |
47 | 2T4 | 0.8755 |
48 | 3KC | 0.8750 |
49 | 3WL | 0.8744 |
50 | YM6 | 0.8741 |
51 | DTQ | 0.8729 |
52 | T28 | 0.8728 |
53 | 1J5 | 0.8726 |
54 | 1BJ | 0.8722 |
55 | XZ1 | 0.8717 |
56 | 2AN | 0.8697 |
57 | MN QAY | 0.8695 |
58 | 0H5 | 0.8694 |
59 | TQ3 | 0.8693 |
60 | 7FC | 0.8686 |
61 | 6BD | 0.8685 |
62 | E2F | 0.8679 |
63 | VGG | 0.8679 |
64 | 0NH | 0.8674 |
65 | E2L | 0.8664 |
66 | 3GX | 0.8661 |
67 | 36I | 0.8659 |
68 | JTF | 0.8658 |
69 | AGI | 0.8658 |
70 | 34L | 0.8649 |
71 | 0JP | 0.8643 |
72 | EUL | 0.8643 |
73 | AXX | 0.8638 |
74 | 338 | 0.8634 |
75 | DFL | 0.8633 |
76 | CU5 | 0.8633 |
77 | 5UV | 0.8633 |
78 | 8HG | 0.8633 |
79 | ZJB | 0.8630 |
80 | 6J7 | 0.8629 |
81 | 4K2 | 0.8623 |
82 | NYJ | 0.8622 |
83 | O9Z | 0.8616 |
84 | ECZ | 0.8613 |
85 | 5DN | 0.8610 |
86 | 1V1 | 0.8606 |
87 | MYU | 0.8604 |
88 | 20D | 0.8601 |
89 | YJX | 0.8599 |
90 | BRY | 0.8598 |
91 | 340 | 0.8598 |
92 | IY5 | 0.8596 |
93 | 6KP | 0.8593 |
94 | XP0 | 0.8592 |
95 | A73 | 0.8587 |
96 | 25F | 0.8584 |
97 | YK9 | 0.8584 |
98 | ML1 | 0.8583 |
99 | PNX | 0.8580 |
100 | 32V | 0.8578 |
101 | T02 | 0.8575 |
102 | 3F4 | 0.8572 |
103 | SZ5 | 0.8568 |
104 | RGK | 0.8567 |
105 | ML2 | 0.8561 |
106 | 1AV | 0.8558 |
107 | 2ZI | 0.8554 |
108 | 58N | 0.8546 |
109 | R4E | 0.8531 |
110 | 4VT | 0.8519 |