- 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 10 families. | |||||
1 | 1X2A | - | PDG | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
2 | 1CZE | Kd = 2.4 mM | SIN | C4 H6 O4 | C(CC(=O)O).... |
3 | 1AHX | Kd = 120 uM | HCI | C9 H10 O2 | c1ccc(cc1).... |
4 | 3PAA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
5 | 3QPG | - | 3QP | C13 H16 N O9 P | Cc1ccc(c(c.... |
6 | 1QIT | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
7 | 2QBT | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
8 | 1TOI | Kd = 0.09 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
9 | 1ASC | - | NPL | C9 H16 N2 O5 P | Cc1c(c(c(c.... |
10 | 1ASA | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
11 | 1ARH | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
12 | 1CZC | Kd = 1.5 mM | GUA | C5 H8 O4 | C(CC(=O)O).... |
13 | 1X29 | - | PMG | C14 H21 N2 O9 P | Cc1c(c(c(c.... |
14 | 1QIS | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
15 | 1AMQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
16 | 4A00 | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
17 | 1IX7 | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
18 | 1AMR | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
19 | 1TOK | Kd = 3.4 mM | MAE | C4 H4 O4 | C(=C/C(=O).... |
20 | 1ASM | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
21 | 5VWQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
22 | 1AHG | - | TYR PLP | n/a | n/a |
23 | 5VWR | - | PL6 | C13 H17 N2 O9 P | Cc1c(c(c(c.... |
24 | 1AHF | - | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
25 | 2QB2 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
26 | 3ZZK | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
27 | 3PA9 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
28 | 1B4X | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
29 | 1X28 | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
30 | 1YOO | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
31 | 1TOJ | Kd = 0.41 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
32 | 1SPA | - | NPL | C9 H16 N2 O5 P | Cc1c(c(c(c.... |
33 | 2Q7W | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
34 | 1TOG | Kd = 0.6 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
35 | 4DBC | - | 3QP | C13 H16 N O9 P | Cc1ccc(c(c.... |
36 | 1AIA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
37 | 1ART | - | PLP 0A0 | n/a | n/a |
38 | 1CQ7 | - | PY5 | C13 H21 N2 O7 P | CCC[C@@H](.... |
39 | 1ASD | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
40 | 1C9C | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
41 | 1CQ8 | - | PY6 | C14 H23 N2 O7 P | CCCC[C@@H].... |
42 | 2QA3 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
43 | 1QIR | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
44 | 1ARG | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
45 | 1AIC | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
46 | 1AHY | Kd = 440 uM | MAE | C4 H4 O4 | C(=C/C(=O).... |
47 | 2QB3 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2AY8 | Kd = 5.8 mM | 4TB | C8 H10 O2 S | c1cc(sc1)C.... |
2 | 2AY4 | Kd = 1.24 mM | PPT | C10 H12 O2 | Cc1ccc(cc1.... |
3 | 2AY7 | Kd = 5 mM | CLT | C10 H12 O2 | c1ccc(cc1).... |
4 | 2AY3 | Kd = 0.28 mM | MPP | C11 H14 O4 | COc1ccc(cc.... |
5 | 1AY8 | - | HCI | C9 H10 O2 | c1ccc(cc1).... |
6 | 1AY5 | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
7 | 2AY9 | Kd = 6.9 mM | 5PV | C11 H14 O2 | c1ccc(cc1).... |
8 | 2AY6 | Kd = 0.78 mM | 3IB | C12 H13 N O2 | c1ccc2c(c1.... |
9 | 2AY2 | Kd = 13.1 mM | CXP | C9 H16 O2 | C1CCC(CC1).... |
10 | 2AY5 | Kd = 2.6 mM | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
11 | 2AY1 | Kd = 5.14 mM | AHC | C9 H11 N O2 | c1cc(ccc1C.... |
12 | 1X2A | - | PDG | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
13 | 1CZE | Kd = 2.4 mM | SIN | C4 H6 O4 | C(CC(=O)O).... |
14 | 1AHX | Kd = 120 uM | HCI | C9 H10 O2 | c1ccc(cc1).... |
15 | 3PAA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
16 | 3QPG | - | 3QP | C13 H16 N O9 P | Cc1ccc(c(c.... |
17 | 1QIT | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
18 | 2QBT | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
19 | 1TOI | Kd = 0.09 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
20 | 1ASC | - | NPL | C9 H16 N2 O5 P | Cc1c(c(c(c.... |
21 | 1ASA | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
22 | 1ARH | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
23 | 1CZC | Kd = 1.5 mM | GUA | C5 H8 O4 | C(CC(=O)O).... |
24 | 1X29 | - | PMG | C14 H21 N2 O9 P | Cc1c(c(c(c.... |
25 | 1QIS | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
26 | 1AMQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
27 | 4A00 | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
28 | 1IX7 | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
29 | 1AMR | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
30 | 1TOK | Kd = 3.4 mM | MAE | C4 H4 O4 | C(=C/C(=O).... |
31 | 1ASM | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
32 | 5VWQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
33 | 1AHG | - | TYR PLP | n/a | n/a |
34 | 5VWR | - | PL6 | C13 H17 N2 O9 P | Cc1c(c(c(c.... |
35 | 1AHF | - | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
36 | 2QB2 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
37 | 3ZZK | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
38 | 3PA9 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
39 | 1B4X | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
40 | 1X28 | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
41 | 1YOO | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
42 | 1TOJ | Kd = 0.41 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
43 | 1SPA | - | NPL | C9 H16 N2 O5 P | Cc1c(c(c(c.... |
44 | 2Q7W | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
45 | 1TOG | Kd = 0.6 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
46 | 4DBC | - | 3QP | C13 H16 N O9 P | Cc1ccc(c(c.... |
47 | 1AIA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
48 | 1ART | - | PLP 0A0 | n/a | n/a |
49 | 1CQ7 | - | PY5 | C13 H21 N2 O7 P | CCC[C@@H](.... |
50 | 1ASD | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
51 | 1C9C | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
52 | 1CQ8 | - | PY6 | C14 H23 N2 O7 P | CCCC[C@@H].... |
53 | 2QA3 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
54 | 1QIR | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
55 | 1ARG | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
56 | 1AIC | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
57 | 1AHY | Kd = 440 uM | MAE | C4 H4 O4 | C(=C/C(=O).... |
58 | 2QB3 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
59 | 1MAP | - | KET | C12 H16 N2 O9 P | Cc1c(c(c(c.... |
60 | 1AKC | - | PPE | C13 H20 N2 O9 P | Cc1c(c(c(c.... |
61 | 1AMA | - | PLA | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
62 | 1AKB | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
63 | 1IVR | - | CBA | C12 H17 N2 O11 P | Cc1c(c(c(c.... |
64 | 1AKA | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
65 | 1MAQ | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
66 | 9AAT | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
67 | 1OXP | - | IK2 | C10 H15 N2 O8 P | Cc1c(c(c(c.... |
68 | 1OXO | - | IK2 | C10 H15 N2 O8 P | Cc1c(c(c(c.... |
69 | 4RKC | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
70 | 2CST | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
71 | 1YAA | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
72 | 6DND | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PL6 | 1 | 1 |
2 | KOU | 0.761194 | 0.87931 |
3 | PL5 | 0.706667 | 0.913793 |
4 | F0G | 0.695652 | 0.909091 |
5 | 5DK | 0.679487 | 0.854839 |
6 | EQJ | 0.679487 | 0.854839 |
7 | PUS | 0.662338 | 0.776119 |
8 | P70 | 0.662338 | 0.910714 |
9 | FEJ | 0.64 | 0.862069 |
10 | EPC | 0.637681 | 0.872727 |
11 | 0JO | 0.611111 | 0.87931 |
12 | PLT | 0.604651 | 0.836066 |
13 | Q0P | 0.6 | 0.866667 |
14 | Z98 | 0.597403 | 0.883333 |
15 | FEV | 0.594595 | 0.847458 |
16 | 4LM | 0.589041 | 0.862069 |
17 | SER PLP | 0.571429 | 0.827586 |
18 | EVM | 0.565789 | 0.864407 |
19 | 6DF | 0.564103 | 0.824561 |
20 | EXT | 0.540541 | 0.910714 |
21 | PLP | 0.522388 | 0.818182 |
22 | MPM | 0.519481 | 0.859649 |
23 | PLP PHE | 0.517241 | 0.810345 |
24 | PZP | 0.514706 | 0.821429 |
25 | AN7 | 0.506667 | 0.821429 |
26 | P3D | 0.506329 | 0.806452 |
27 | HCP | 0.506329 | 0.847458 |
28 | PLP ALO | 0.506173 | 0.810345 |
29 | PLP 999 | 0.5 | 0.810345 |
30 | FOO | 0.5 | 0.859649 |
31 | P89 | 0.494253 | 0.784615 |
32 | 3QP | 0.493671 | 0.888889 |
33 | PDG | 0.481928 | 0.825397 |
34 | PGU | 0.481928 | 0.825397 |
35 | PFM | 0.481928 | 0.847458 |
36 | PLP PVH | 0.478261 | 0.731343 |
37 | LUK | 0.47191 | 0.728571 |
38 | LUH | 0.47191 | 0.728571 |
39 | KET | 0.46988 | 0.929825 |
40 | PLP ABU | 0.464286 | 0.844828 |
41 | GLY PLP | 0.4625 | 0.824561 |
42 | 76U | 0.453488 | 0.8125 |
43 | O1G | 0.450549 | 0.793651 |
44 | EA5 | 0.448276 | 0.787879 |
45 | N5F | 0.448276 | 0.8125 |
46 | PLS | 0.433735 | 0.793651 |
47 | PPD | 0.428571 | 0.822581 |
48 | PDA | 0.426829 | 0.75 |
49 | PDD | 0.426829 | 0.75 |
50 | PP3 | 0.426829 | 0.75 |
51 | PLP MYB | 0.425532 | 0.710145 |
52 | QLP | 0.425287 | 0.776119 |
53 | PLG | 0.425 | 0.793651 |
54 | P0P | 0.424658 | 0.785714 |
55 | PY5 | 0.423529 | 0.772727 |
56 | PLP PUT | 0.423529 | 0.774194 |
57 | 2BK | 0.416667 | 0.75 |
58 | 2BO | 0.416667 | 0.75 |
59 | TLP | 0.416667 | 0.75 |
60 | PLR | 0.414286 | 0.767857 |
61 | 7XF | 0.413793 | 0.796875 |
62 | C6P | 0.411765 | 0.793651 |
63 | PXP | 0.410959 | 0.716667 |
64 | LPI | 0.409091 | 0.73913 |
65 | KAM | 0.408602 | 0.784615 |
66 | AQ3 | 0.40625 | 0.746269 |
67 | PY6 | 0.404494 | 0.75 |
68 | 0PR | 0.402174 | 0.78125 |
69 | PLP 142 | 0.4 | 0.757576 |
70 | ORX | 0.4 | 0.784615 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PPE | 0.9664 |
2 | PLP 0A0 | 0.9565 |
3 | PLA | 0.9540 |
4 | PMG | 0.9529 |
5 | 3LM | 0.9456 |
6 | SEP PLP | 0.9447 |
7 | CBA | 0.9434 |
8 | ASP PLP | 0.9351 |
9 | RW2 | 0.9151 |
10 | RMT | 0.9104 |
11 | PXG | 0.8966 |
12 | TYR PLP | 0.8951 |
13 | LEU PLP | 0.8923 |
14 | PLP 2ML | 0.8909 |
15 | PPG | 0.8893 |
16 | GBC PLP | 0.8880 |
17 | GAB PLP | 0.8826 |
18 | P71 | 0.8824 |
19 | PM9 | 0.8814 |
20 | MET PLP | 0.8814 |
21 | 5PA | 0.8799 |
22 | PL4 | 0.8775 |
23 | GLU PLP | 0.8772 |
24 | P3B | 0.8772 |
25 | ILP | 0.8733 |
26 | PLP CYS | 0.8657 |
This union binding pocket(no: 1) in the query (biounit: 1toi.bio1) has 75 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1toi.bio1) has 75 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |