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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 5 families. | |||||
1 | 6LD5 | ic50 = 106.6 uM | G8L | C9 H8 N2 O2 S | c1cc2cccnc.... |
2 | 6LD3 | ic50 = 43.2 uM | G8O FB2 | n/a | n/a |
3 | 6LD4 | ic50 = 80.6 uM | G8F | C7 H9 N O3 S | COc1cccc(c.... |
4 | 6LD2 | ic50 = 246.6 uM | KY3 | C13 H18 O4 S | CO[C@H]1C[.... |
5 | 5K5M | - | 68T | C23 H21 N O7 S2 | COc1cccc(c.... |
6 | 4HDG | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
7 | 4HDH | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
8 | 3VWS | Kd = 225 uM | VWS | C16 H12 Cl N O5 S | Cc1c(c2cc(.... |
9 | 5HMZ | - | LNZ | C17 H17 N O5 S2 | Cc1cc(c(cc.... |
10 | 5HMY | ic50 = 0.5 uM | LNY | C17 H14 O5 S | c1cc(sc1C#.... |
11 | 5I3Q | - | 68E | C25 H20 N2 O5 S2 | Cc1cc(c(cc.... |
12 | 5F41 | Kd = 67 uM | 5V6 | C13 H12 O3 S | COc1ccc(cc.... |
13 | 5I3P | - | 68T | C23 H21 N O7 S2 | COc1cccc(c.... |
14 | 6H9R | - | 5V5 | C13 H12 O3 S | COc1ccc(cc.... |
15 | 5HN0 | - | LNN | C14 H12 O3 | c1ccc(cc1).... |
16 | 6H80 | - | 5V5 | C13 H12 O3 S | COc1ccc(cc.... |
17 | 5HMW | - | LNW | C16 H14 O4 | c1ccc(cc1).... |
18 | 5F3Z | Kd = 29 uM | 5V5 | C13 H12 O3 S | COc1ccc(cc.... |
19 | 5F3T | Kd = 210 uM | 5UH | C15 H14 O3 | COc1ccc(cc.... |
20 | 5HMX | - | LNX | C14 H12 O4 S | c1cc(sc1)c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 6LD5 | ic50 = 106.6 uM | G8L | C9 H8 N2 O2 S | c1cc2cccnc.... |
2 | 6LD3 | ic50 = 43.2 uM | G8O FB2 | n/a | n/a |
3 | 6LD4 | ic50 = 80.6 uM | G8F | C7 H9 N O3 S | COc1cccc(c.... |
4 | 6LD2 | ic50 = 246.6 uM | KY3 | C13 H18 O4 S | CO[C@H]1C[.... |
5 | 5K5M | - | 68T | C23 H21 N O7 S2 | COc1cccc(c.... |
6 | 4HDG | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
7 | 4HDH | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
8 | 3VWS | Kd = 225 uM | VWS | C16 H12 Cl N O5 S | Cc1c(c2cc(.... |
9 | 5HMZ | - | LNZ | C17 H17 N O5 S2 | Cc1cc(c(cc.... |
10 | 5HMY | ic50 = 0.5 uM | LNY | C17 H14 O5 S | c1cc(sc1C#.... |
11 | 5I3Q | - | 68E | C25 H20 N2 O5 S2 | Cc1cc(c(cc.... |
12 | 5F41 | Kd = 67 uM | 5V6 | C13 H12 O3 S | COc1ccc(cc.... |
13 | 5I3P | - | 68T | C23 H21 N O7 S2 | COc1cccc(c.... |
14 | 6H9R | - | 5V5 | C13 H12 O3 S | COc1ccc(cc.... |
15 | 5HN0 | - | LNN | C14 H12 O3 | c1ccc(cc1).... |
16 | 6H80 | - | 5V5 | C13 H12 O3 S | COc1ccc(cc.... |
17 | 5HMW | - | LNW | C16 H14 O4 | c1ccc(cc1).... |
18 | 5F3Z | Kd = 29 uM | 5V5 | C13 H12 O3 S | COc1ccc(cc.... |
19 | 5F3T | Kd = 210 uM | 5UH | C15 H14 O3 | COc1ccc(cc.... |
20 | 5HMX | - | LNX | C14 H12 O4 S | c1cc(sc1)c.... |
21 | 5ZQK | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
22 | 4V0Q | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
23 | 5JJR | ic50 = 0.016 uM | 68E | C25 H20 N2 O5 S2 | Cc1cc(c(cc.... |
24 | 4V0R | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
25 | 5JJS | ic50 = 0.048 uM | 6L2 | C23 H27 N O7 S2 | COc1cc(c(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AED | 0.9463 |
2 | 5V5 | 0.9409 |
3 | 3C5 | 0.9395 |
4 | 5V6 | 0.9392 |
5 | 60L | 0.9304 |
6 | 77X | 0.9230 |
7 | D1G | 0.9200 |
8 | V2Z | 0.9160 |
9 | HKK | 0.9120 |
10 | 6NZ | 0.9106 |
11 | UN3 | 0.9102 |
12 | 9XZ | 0.9059 |
13 | 69W | 0.9059 |
14 | 5F8 | 0.9059 |
15 | 5KN | 0.9047 |
16 | 1ER | 0.9019 |
17 | EV2 | 0.9001 |
18 | 2GE | 0.8997 |
19 | 0LO | 0.8973 |
20 | D2G | 0.8971 |
21 | F63 | 0.8969 |
22 | 5FL | 0.8968 |
23 | FX5 | 0.8960 |
24 | JSX | 0.8959 |
25 | CX4 | 0.8938 |
26 | AUV | 0.8933 |
27 | S1D | 0.8930 |
28 | E42 | 0.8928 |
29 | MIL | 0.8927 |
30 | VBC | 0.8925 |
31 | U7E | 0.8916 |
32 | MMJ | 0.8886 |
33 | LFQ | 0.8882 |
34 | TCR | 0.8864 |
35 | Q4G | 0.8850 |
36 | X6W | 0.8849 |
37 | FZ6 | 0.8837 |
38 | LEL | 0.8830 |
39 | L5D | 0.8827 |
40 | IQQ | 0.8820 |
41 | 1CE | 0.8817 |
42 | 49P | 0.8817 |
43 | TR4 | 0.8806 |
44 | 8RK | 0.8797 |
45 | L98 | 0.8794 |
46 | KCH | 0.8793 |
47 | K4T | 0.8778 |
48 | C09 | 0.8776 |
49 | L1T | 0.8774 |
50 | XG1 | 0.8760 |
51 | JHY | 0.8756 |
52 | 5TZ | 0.8750 |
53 | BQ5 | 0.8750 |
54 | L07 | 0.8733 |
55 | KWQ | 0.8728 |
56 | SU9 | 0.8723 |
57 | JF5 | 0.8719 |
58 | 5P3 | 0.8710 |
59 | 5C1 | 0.8707 |
60 | EYM | 0.8703 |
61 | A9B | 0.8695 |
62 | FZ0 | 0.8693 |
63 | HHB | 0.8691 |
64 | 0K7 | 0.8686 |
65 | LF5 | 0.8684 |
66 | KWB | 0.8672 |
67 | 4AU | 0.8672 |
68 | S46 | 0.8667 |
69 | 7G2 | 0.8656 |
70 | D3G | 0.8655 |
71 | 90M | 0.8634 |
72 | K6N | 0.8633 |
73 | RI2 | 0.8624 |
74 | ROL | 0.8611 |
75 | K6B | 0.8595 |
76 | KWH | 0.8586 |
77 | G6Q | 0.8580 |
78 | S2X | 0.8564 |
79 | EYA | 0.8557 |
80 | AJ1 | 0.8557 |
81 | ET0 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 5hmy.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |