- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 2 families. | |||||
1 | 4O0Z | ic50 = 0.057 uM | 2RM | C22 H16 F2 N2 O3 S | c1cc2ccc(c.... |
2 | 5KIT | ic50 = 0.013 uM | 6TA | C21 H30 N4 O3 | CC(C)(C)OC.... |
3 | 3DKJ | - | UNU | C7 H7 N O | c1ccc(cc1).... |
4 | 4L4L | - | 1XC | C26 H25 F2 N3 O10 P S | c1cc(ccc1C.... |
5 | 2GVG | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
6 | 4LVB | - | 20N | C12 H14 N2 O2 | CC(=O)Nc1c.... |
7 | 4N9D | ic50 = 0.019 uM | 2HJ | C23 H25 N3 O3 S | CC(C)(C)c1.... |
8 | 4M6P | ic50 = 0.054 uM | 20R | C20 H16 N4 O3 S | c1ccc(cc1).... |
9 | 4LVG | - | 20O | C21 H18 N2 O3 S | c1ccc(cc1).... |
10 | 4O10 | ic50 = 0.078 uM | 2QF | C22 H16 F2 N2 O3 S | c1cc2cc(cc.... |
11 | 4O28 | ic50 = 0.029 uM | 1QS | C21 H15 F2 N3 O3 S | c1cc(ccc1C.... |
12 | 4LV9 | - | 20J | C8 H7 Cl N2 O2 S | CC1=Nc2ccc.... |
13 | 3DKL | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4LVD | - | 1EB | C10 H10 N2 O3 | c1cc(ccc1N.... |
15 | 2H3D | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
16 | 4O1B | ic50 = 0.385 uM | DGB | C24 H29 N3 O2 | c1ccc(cc1).... |
17 | 5NSD | - | 96Q | C35 H29 F3 N4 O3 | c1cc(ccc1c.... |
18 | 4O13 | ic50 = 0.015 uM | 2P1 | C21 H15 F3 N4 O3 S | c1cc(cc(c1.... |
19 | 4JR5 | ic50 = 0.007 uM | 1LS | C18 H22 N4 O2 S2 | c1cc(cnc1).... |
20 | 3DGR | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
21 | 2E5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
22 | 4LTS | ic50 = 4.4 nM | LTS | C21 H16 F3 N5 O3 S | c1cc(cc(c1.... |
23 | 5U2N | - | 7TA | C23 H26 N4 O2 | CC(C)C(=O).... |
24 | 4JNM | ic50 = 3 nM | 1LJ | C19 H18 N4 O3 S | c1ccc(cc1).... |
25 | 4N9C | Kd = 126 uM | 2ZM | C7 H5 N3 O2 | c1cc2c(cc1.... |
26 | 4KFO | - | 1QS | C21 H15 F2 N3 O3 S | c1cc(ccc1C.... |
27 | 4L4M | ic50 = 0.01 uM | 1XD | C21 H15 F2 N3 O3 S | c1cc(ccc1C.... |
28 | 3DHD | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
29 | 4O12 | ic50 = 0.002 uM | 2QG | C19 H22 Cl N5 O | c1cc(ccc1O.... |
30 | 4M6Q | ic50 = 0.0061 uM | 20T | C26 H24 F3 N4 O10 P S | c1cc(cc(c1.... |
31 | 4KFN | - | 1QR | C20 H22 N4 O3 S | c1cc(ccc1C.... |
32 | 2E5D | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
33 | 4WQ6 | ic50 = 0.026 uM | 3TQ | C24 H29 N3 O3 S | CC(C)CN1CC.... |
34 | 4O15 | ic50 = 0.095 uM | 2P1 | C21 H15 F3 N4 O3 S | c1cc(cc(c1.... |
35 | 4O1D | ic50 = 0.024 uM | DGB | C24 H29 N3 O2 | c1ccc(cc1).... |
36 | 5UPF | Ki = 2.5 nM | 8HV | C24 H26 F N3 O3 | CC(C)(C(=O.... |
37 | 4LVF | - | 20P | C15 H14 N2 O | c1ccc(cc1).... |
38 | 4LWW | ic50 = 29 nM | LWW | C21 H17 N3 O3 S | c1ccc(cc1).... |
39 | 5UPE | Ki = 9 nM | 8HY | C25 H23 N3 O2 | c1ccc(cc1).... |
40 | 3DHF | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
41 | 4LVA | - | 20M | C22 H28 N6 O4 S2 | c1cc(ccc1C.... |
42 | 4O16 | - | 1XC | C26 H25 F2 N3 O10 P S | c1cc(ccc1C.... |
43 | 6PEB | ic50 = 2.7 nM | OE4 | C24 H20 N4 O3 | c1ccc2c(c1.... |
44 | 5WI0 | ic50 = 360 uM | AQ1 | C13 H14 F N3 O | CCCC1=CC(=.... |
45 | 4N9E | ic50 = 0.015 uM | 2HL | C26 H25 N5 O2 | c1ccc(cc1).... |
46 | 5U2M | - | 7T7 | C21 H23 N3 O3 | c1ccc2c(c1.... |
47 | 5WI1 | ic50 = 10 uM | AOY | C12 H13 N O2 | c1ccc(cc1).... |
48 | 4KFP | ic50 = 0.01 uM | 1R7 | C25 H30 N4 O4 S | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4O0Z | ic50 = 0.057 uM | 2RM | C22 H16 F2 N2 O3 S | c1cc2ccc(c.... |
2 | 5KIT | ic50 = 0.013 uM | 6TA | C21 H30 N4 O3 | CC(C)(C)OC.... |
3 | 3DKJ | - | UNU | C7 H7 N O | c1ccc(cc1).... |
4 | 4L4L | - | 1XC | C26 H25 F2 N3 O10 P S | c1cc(ccc1C.... |
5 | 2GVG | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
6 | 4LVB | - | 20N | C12 H14 N2 O2 | CC(=O)Nc1c.... |
7 | 4N9D | ic50 = 0.019 uM | 2HJ | C23 H25 N3 O3 S | CC(C)(C)c1.... |
8 | 4M6P | ic50 = 0.054 uM | 20R | C20 H16 N4 O3 S | c1ccc(cc1).... |
9 | 4LVG | - | 20O | C21 H18 N2 O3 S | c1ccc(cc1).... |
10 | 4O10 | ic50 = 0.078 uM | 2QF | C22 H16 F2 N2 O3 S | c1cc2cc(cc.... |
11 | 4O28 | ic50 = 0.029 uM | 1QS | C21 H15 F2 N3 O3 S | c1cc(ccc1C.... |
12 | 4LV9 | - | 20J | C8 H7 Cl N2 O2 S | CC1=Nc2ccc.... |
13 | 3DKL | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4LVD | - | 1EB | C10 H10 N2 O3 | c1cc(ccc1N.... |
15 | 2H3D | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
16 | 4O1B | ic50 = 0.385 uM | DGB | C24 H29 N3 O2 | c1ccc(cc1).... |
17 | 5NSD | - | 96Q | C35 H29 F3 N4 O3 | c1cc(ccc1c.... |
18 | 4O13 | ic50 = 0.015 uM | 2P1 | C21 H15 F3 N4 O3 S | c1cc(cc(c1.... |
19 | 4JR5 | ic50 = 0.007 uM | 1LS | C18 H22 N4 O2 S2 | c1cc(cnc1).... |
20 | 3DGR | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
21 | 2E5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
22 | 4LTS | ic50 = 4.4 nM | LTS | C21 H16 F3 N5 O3 S | c1cc(cc(c1.... |
23 | 5U2N | - | 7TA | C23 H26 N4 O2 | CC(C)C(=O).... |
24 | 4JNM | ic50 = 3 nM | 1LJ | C19 H18 N4 O3 S | c1ccc(cc1).... |
25 | 4N9C | Kd = 126 uM | 2ZM | C7 H5 N3 O2 | c1cc2c(cc1.... |
26 | 4KFO | - | 1QS | C21 H15 F2 N3 O3 S | c1cc(ccc1C.... |
27 | 4L4M | ic50 = 0.01 uM | 1XD | C21 H15 F2 N3 O3 S | c1cc(ccc1C.... |
28 | 3DHD | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
29 | 4O12 | ic50 = 0.002 uM | 2QG | C19 H22 Cl N5 O | c1cc(ccc1O.... |
30 | 4M6Q | ic50 = 0.0061 uM | 20T | C26 H24 F3 N4 O10 P S | c1cc(cc(c1.... |
31 | 4KFN | - | 1QR | C20 H22 N4 O3 S | c1cc(ccc1C.... |
32 | 2E5D | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
33 | 4WQ6 | ic50 = 0.026 uM | 3TQ | C24 H29 N3 O3 S | CC(C)CN1CC.... |
34 | 4O15 | ic50 = 0.095 uM | 2P1 | C21 H15 F3 N4 O3 S | c1cc(cc(c1.... |
35 | 4O1D | ic50 = 0.024 uM | DGB | C24 H29 N3 O2 | c1ccc(cc1).... |
36 | 5UPF | Ki = 2.5 nM | 8HV | C24 H26 F N3 O3 | CC(C)(C(=O.... |
37 | 4LVF | - | 20P | C15 H14 N2 O | c1ccc(cc1).... |
38 | 4LWW | ic50 = 29 nM | LWW | C21 H17 N3 O3 S | c1ccc(cc1).... |
39 | 5UPE | Ki = 9 nM | 8HY | C25 H23 N3 O2 | c1ccc(cc1).... |
40 | 3DHF | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
41 | 4LVA | - | 20M | C22 H28 N6 O4 S2 | c1cc(ccc1C.... |
42 | 4O16 | - | 1XC | C26 H25 F2 N3 O10 P S | c1cc(ccc1C.... |
43 | 6PEB | ic50 = 2.7 nM | OE4 | C24 H20 N4 O3 | c1ccc2c(c1.... |
44 | 5WI0 | ic50 = 360 uM | AQ1 | C13 H14 F N3 O | CCCC1=CC(=.... |
45 | 4N9E | ic50 = 0.015 uM | 2HL | C26 H25 N5 O2 | c1ccc(cc1).... |
46 | 5U2M | - | 7T7 | C21 H23 N3 O3 | c1ccc2c(c1.... |
47 | 5WI1 | ic50 = 10 uM | AOY | C12 H13 N O2 | c1ccc(cc1).... |
48 | 4KFP | ic50 = 0.01 uM | 1R7 | C25 H30 N4 O4 S | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4o12.bio1) has 107 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4o12.bio1) has 126 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |