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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 | 4HZ0 | - | 1AV | C13 H9 N7 S | c1cc(cnc1).... |
2 | 1S14 | - | NOV | C31 H36 N2 O11 | Cc1c(ccc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5D7D | - | 57X | C17 H15 N5 O S | CCCN1c2c(c.... |
2 | 5CTY | ic50 = 0.265 uM | 55H | C14 H9 N5 O S | c1cc(cnc1).... |
3 | 5D7R | ic50 = 0.013 uM | 57Y | C19 H16 N4 O4 S | CCCc1c(ccc.... |
4 | 6KZV | ic50 = 5.4 uM | E0F | C24 H27 N3 O2 | CN(Cc1cccc.... |
5 | 6Y8O | - | NOV | C31 H36 N2 O11 | Cc1c(ccc2c.... |
6 | 4GEE | Ki < 1 nM | 0WT | C17 H18 Cl N7 O | CCc1c(c2c(.... |
7 | 4GGL | Ki < 1 nM | CJC | C19 H19 Cl N8 O S | CCc1c(c2c(.... |
8 | 4HZ0 | - | 1AV | C13 H9 N7 S | c1cc(cnc1).... |
9 | 1S14 | - | NOV | C31 H36 N2 O11 | Cc1c(ccc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1AV | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 9KQ | 0.9519 |
2 | X8E | 0.9495 |
3 | 36I | 0.9449 |
4 | YEX | 0.9316 |
5 | CFK | 0.9292 |
6 | XEZ | 0.9285 |
7 | 362 | 0.9256 |
8 | TQ1 | 0.9238 |
9 | 4UB | 0.9196 |
10 | 8HH | 0.9129 |
11 | BHF | 0.9128 |
12 | NU3 | 0.9115 |
13 | QUE | 0.9084 |
14 | IK1 | 0.9067 |
15 | YL3 | 0.9061 |
16 | 697 | 0.9045 |
17 | 553 | 0.9022 |
18 | 5E1 | 0.9021 |
19 | HM5 | 0.8996 |
20 | HKK | 0.8995 |
21 | 244 | 0.8995 |
22 | BU7 | 0.8981 |
23 | 34L | 0.8980 |
24 | KMP | 0.8970 |
25 | 6TJ | 0.8951 |
26 | 041 | 0.8943 |
27 | LU2 | 0.8927 |
28 | AGI | 0.8910 |
29 | 4V9 | 0.8883 |
30 | S0K | 0.8882 |
31 | 2HW | 0.8875 |
32 | 5E2 | 0.8875 |
33 | O9Z | 0.8856 |
34 | 5DN | 0.8851 |
35 | BJ4 | 0.8849 |
36 | 2T6 | 0.8846 |
37 | CQU | 0.8842 |
38 | MYC | 0.8841 |
39 | EDZ | 0.8841 |
40 | 8E3 | 0.8831 |
41 | 0H5 | 0.8825 |
42 | ZZ4 | 0.8823 |
43 | BUX | 0.8819 |
44 | 7BD | 0.8807 |
45 | NAR | 0.8802 |
46 | 3WL | 0.8796 |
47 | MRI | 0.8796 |
48 | 14I | 0.8792 |
49 | SGW | 0.8792 |
50 | IRG | 0.8785 |
51 | ZO0 | 0.8780 |
52 | P9I | 0.8771 |
53 | O9Q | 0.8768 |
54 | 9XZ | 0.8755 |
55 | 8M5 | 0.8753 |
56 | ZRM | 0.8753 |
57 | O9T | 0.8745 |
58 | H32 | 0.8742 |
59 | MHB | 0.8738 |
60 | BZC | 0.8732 |
61 | 5KN | 0.8722 |
62 | 66P | 0.8718 |
63 | Y3 | 0.8718 |
64 | BL6 | 0.8715 |
65 | 64F | 0.8713 |
66 | K8W | 0.8698 |
67 | IZA | 0.8689 |
68 | JT2 | 0.8686 |
69 | Z3A | 0.8685 |
70 | CC6 | 0.8685 |
71 | BL7 | 0.8683 |
72 | 35X | 0.8680 |
73 | CK8 | 0.8679 |
74 | DN8 | 0.8678 |
75 | 499 | 0.8672 |
76 | DQH | 0.8670 |
77 | 1D1 | 0.8661 |
78 | L0F | 0.8659 |
79 | C9Q | 0.8657 |
80 | MYU | 0.8657 |
81 | 8XT | 0.8648 |
82 | BTD | 0.8644 |
83 | 4VB | 0.8640 |
84 | 6JP | 0.8639 |
85 | GMB | 0.8633 |
86 | 3TI | 0.8632 |
87 | 8EC | 0.8628 |
88 | 8MY | 0.8622 |
89 | Q7U | 0.8620 |
90 | 8E6 | 0.8620 |
91 | AV6 | 0.8619 |
92 | GDK | 0.8608 |
93 | P5W | 0.8598 |
94 | CMG | 0.8583 |
95 | J8G | 0.8581 |
96 | K6N | 0.8574 |
97 | 6FX | 0.8567 |
98 | RDL | 0.8558 |
99 | DMB | 0.8549 |
100 | JTF | 0.8547 |
This union binding pocket(no: 1) in the query (biounit: 4hz0.bio2) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4hz0.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |