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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 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
10 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
11 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
12 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
13 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
14 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
15 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
16 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
10 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
11 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
12 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
13 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
14 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
15 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
16 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
17 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
18 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
19 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
20 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
21 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
22 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
23 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
24 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
25 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
26 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
27 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
28 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
29 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
30 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
31 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
32 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
33 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
34 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
35 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6AN | 0.9194 |
2 | TVC | 0.9141 |
3 | K97 | 0.9113 |
4 | 675 | 0.9103 |
5 | S1C | 0.9086 |
6 | BXS | 0.9063 |
7 | 2JP | 0.9043 |
8 | MBT | 0.9035 |
9 | 4BG | 0.9011 |
10 | Q92 | 0.8996 |
11 | GA6 | 0.8978 |
12 | S38 | 0.8969 |
13 | F91 | 0.8969 |
14 | HDI | 0.8968 |
15 | Y0R | 0.8965 |
16 | 88S | 0.8948 |
17 | CIU | 0.8942 |
18 | L43 | 0.8933 |
19 | 576 | 0.8923 |
20 | GP6 | 0.8918 |
21 | Z3R | 0.8915 |
22 | ESJ | 0.8906 |
23 | A9E | 0.8903 |
24 | 35K | 0.8902 |
25 | 745 | 0.8898 |
26 | HMO | 0.8896 |
27 | M62 | 0.8894 |
28 | RKY | 0.8883 |
29 | 90M | 0.8876 |
30 | 0DJ | 0.8856 |
31 | 135 | 0.8853 |
32 | TFX | 0.8835 |
33 | 23M | 0.8833 |
34 | S16 | 0.8796 |
35 | AU6 | 0.8796 |
36 | 9EG | 0.8793 |
37 | J2W | 0.8792 |
38 | E98 | 0.8778 |
39 | K3T | 0.8769 |
40 | EXP | 0.8763 |
41 | 4UM | 0.8762 |
42 | WF4 | 0.8760 |
43 | LWA | 0.8760 |
44 | AZB | 0.8751 |
45 | 2X1 | 0.8751 |
46 | BMZ | 0.8749 |
47 | BZH | 0.8747 |
48 | NZO | 0.8746 |
49 | AT2 | 0.8745 |
50 | WG8 | 0.8745 |
51 | WWZ | 0.8743 |
52 | E92 | 0.8742 |
53 | FJR | 0.8741 |
54 | 658 | 0.8741 |
55 | 62D | 0.8740 |
56 | E8Z | 0.8738 |
57 | F41 | 0.8735 |
58 | S6I | 0.8735 |
59 | 82E | 0.8734 |
60 | LZ3 | 0.8734 |
61 | 123 | 0.8730 |
62 | 7KE | 0.8721 |
63 | A8D | 0.8719 |
64 | BBP | 0.8704 |
65 | 120 | 0.8698 |
66 | 4ZW | 0.8698 |
67 | ZUF | 0.8698 |
68 | 55H | 0.8696 |
69 | 32F | 0.8685 |
70 | SAQ | 0.8683 |
71 | 3K1 | 0.8682 |
72 | 077 | 0.8682 |
73 | 97K | 0.8679 |
74 | CWP | 0.8672 |
75 | PW8 | 0.8666 |
76 | 1R5 | 0.8664 |
77 | 5UN | 0.8661 |
78 | G2V | 0.8657 |
79 | 802 | 0.8654 |
80 | 68Q | 0.8653 |
81 | 72H | 0.8651 |
82 | 90G | 0.8648 |
83 | OT4 | 0.8643 |
84 | 124 | 0.8640 |
85 | 122 | 0.8639 |
86 | 7CE | 0.8633 |
87 | 3GG | 0.8629 |
88 | CR4 | 0.8624 |
89 | NNF | 0.8610 |
90 | 4CN | 0.8610 |
91 | AV7 | 0.8608 |
92 | JV5 | 0.8600 |
93 | OYQ | 0.8599 |
94 | HAU | 0.8596 |
95 | 121 | 0.8592 |
96 | GEN | 0.8586 |
97 | 9M9 | 0.8583 |
98 | 5ER | 0.8579 |
99 | FDZ | 0.8577 |
100 | GQZ | 0.8555 |
101 | RZ8 | 0.8551 |
102 | JV8 | 0.8543 |
103 | BOS | 0.8541 |
104 | 100 | 0.8531 |