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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 14 families. | |||||
1 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
2 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
3 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
4 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
5 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
6 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
7 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
8 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
9 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
10 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
11 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
12 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5V3 | 0.9001 |
2 | F33 | 0.8934 |
3 | W2E | 0.8872 |
4 | 87F | 0.8872 |
5 | 9M9 | 0.8860 |
6 | 9C8 | 0.8850 |
7 | F08 | 0.8816 |
8 | 1UT | 0.8798 |
9 | 06R | 0.8708 |
10 | 29F | 0.8705 |
11 | 31F | 0.8685 |
12 | S1C | 0.8672 |
13 | 5RU | 0.8668 |
14 | 87C | 0.8658 |
15 | GN5 | 0.8642 |
16 | IPL | 0.8633 |
17 | 5HG | 0.8629 |
18 | 2ZI | 0.8627 |
19 | F5N | 0.8606 |
20 | E92 | 0.8573 |
21 | E98 | 0.8570 |
22 | EBB | 0.8566 |
23 | 1UR | 0.8563 |
24 | F37 | 0.8533 |
This union binding pocket(no: 1) in the query (biounit: 4gv4.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |