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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 | LNN | 0.9392 |
2 | AED | 0.9154 |
3 | EYM | 0.9150 |
4 | HA6 | 0.9094 |
5 | LF5 | 0.9020 |
6 | CX4 | 0.8983 |
7 | C09 | 0.8982 |
8 | LJW | 0.8965 |
9 | EYA | 0.8965 |
10 | 5WS | 0.8958 |
11 | L07 | 0.8954 |
12 | AO6 | 0.8934 |
13 | MUX | 0.8929 |
14 | P83 | 0.8928 |
15 | XG1 | 0.8908 |
16 | 3C5 | 0.8894 |
17 | D80 | 0.8894 |
18 | 4XY | 0.8890 |
19 | 9F8 | 0.8887 |
20 | C1F | 0.8815 |
21 | 9XZ | 0.8805 |
22 | ROL | 0.8800 |
23 | W22 | 0.8793 |
24 | 77X | 0.8781 |
25 | 5KN | 0.8748 |
26 | 020 | 0.8742 |
27 | HKK | 0.8740 |
28 | JAA | 0.8725 |
29 | 018 | 0.8701 |
30 | 1CE | 0.8694 |
31 | OKM | 0.8683 |
32 | LP8 | 0.8683 |
33 | EY2 | 0.8681 |
34 | AH3 | 0.8658 |
35 | KFN | 0.8649 |
36 | C8O | 0.8641 |
37 | 3S6 | 0.8612 |
38 | ASG | 0.8600 |
39 | GG5 | 0.8595 |
40 | 7M6 | 0.8594 |
41 | 6NZ | 0.8559 |
42 | O82 | 0.8552 |
43 | MN9 | 0.8541 |
44 | 2LX | 0.8526 |
45 | 4UB | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 5hmy.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |