- 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 | PPD | 1 | 1 |
2 | PLS | 0.8 | 0.966667 |
3 | C6P | 0.787879 | 0.966667 |
4 | PGU | 0.779412 | 0.967213 |
5 | PDG | 0.779412 | 0.967213 |
6 | PY5 | 0.776119 | 0.90625 |
7 | 7XF | 0.753623 | 0.935484 |
8 | N5F | 0.746479 | 0.951613 |
9 | QLP | 0.742857 | 0.907692 |
10 | LPI | 0.742857 | 0.865672 |
11 | PY6 | 0.732394 | 0.878788 |
12 | ORX | 0.722222 | 0.920635 |
13 | PDD | 0.716418 | 0.918033 |
14 | PP3 | 0.716418 | 0.918033 |
15 | PDA | 0.716418 | 0.918033 |
16 | PE1 | 0.712329 | 0.920635 |
17 | 2BK | 0.695652 | 0.918033 |
18 | 2BO | 0.695652 | 0.918033 |
19 | TLP | 0.695652 | 0.918033 |
20 | 0PR | 0.693333 | 0.95082 |
21 | PL4 | 0.693333 | 0.920635 |
22 | AQ3 | 0.683544 | 0.90625 |
23 | ILP | 0.680556 | 0.888889 |
24 | IN5 | 0.647059 | 0.885246 |
25 | PLG | 0.647059 | 0.966667 |
26 | 76U | 0.64 | 0.920635 |
27 | IK2 | 0.611111 | 0.920635 |
28 | P1T | 0.597222 | 0.920635 |
29 | KAM | 0.592593 | 0.890625 |
30 | CBA | 0.592105 | 0.875 |
31 | EA5 | 0.589744 | 0.921875 |
32 | PLA | 0.586667 | 0.936508 |
33 | 5PA | 0.581081 | 0.920635 |
34 | 33P | 0.567568 | 0.870968 |
35 | PMG | 0.564103 | 0.907692 |
36 | PSZ | 0.55 | 0.808824 |
37 | HEY | 0.5375 | 0.90625 |
38 | 3LM | 0.530864 | 0.823529 |
39 | PXP | 0.530303 | 0.8 |
40 | RW2 | 0.53012 | 0.863636 |
41 | PMP | 0.522388 | 0.866667 |
42 | PMH | 0.519481 | 0.706667 |
43 | GT1 | 0.514706 | 0.71875 |
44 | PXG | 0.511905 | 0.873016 |
45 | DN9 | 0.511628 | 0.855072 |
46 | CKT | 0.506494 | 0.887097 |
47 | PL2 | 0.506173 | 0.794118 |
48 | DCS | 0.506173 | 0.77027 |
49 | 7TS | 0.493827 | 0.714286 |
50 | 9YM | 0.470588 | 0.846154 |
51 | 1D0 | 0.461538 | 0.863636 |
52 | PLP 2KZ | 0.45679 | 0.84127 |
53 | PL8 | 0.454545 | 0.816901 |
54 | 7B9 | 0.444444 | 0.852941 |
55 | PPE | 0.440476 | 0.951613 |
56 | PPG | 0.438202 | 0.890625 |
57 | F0G | 0.4375 | 0.774194 |
58 | RMT | 0.433333 | 0.80303 |
59 | KOU | 0.432099 | 0.83871 |
60 | CAN PLP | 0.431818 | 0.863636 |
61 | PL6 | 0.428571 | 0.822581 |
62 | PLR | 0.426471 | 0.704918 |
63 | 0JO | 0.425 | 0.753846 |
64 | AN7 | 0.423077 | 0.754098 |
65 | PLP SER | 0.419753 | 0.84127 |
66 | LCS | 0.418605 | 0.710526 |
67 | OJQ | 0.416667 | 0.688312 |
68 | P0P | 0.416667 | 0.75 |
69 | EVM | 0.409639 | 0.825397 |
70 | PLP | 0.408451 | 0.75 |
71 | 4LM | 0.407407 | 0.738462 |
72 | Z98 | 0.406977 | 0.84375 |
73 | FEJ | 0.406977 | 0.765625 |
74 | GAB PLP | 0.406593 | 0.828125 |
75 | PLP CYS | 0.404762 | 0.903226 |
76 | PZP | 0.402778 | 0.754098 |
77 | 0LD | 0.401961 | 0.627907 |
78 | 2B6 | 0.4 | 0.675325 |
79 | PUS | 0.4 | 0.722222 |
80 | FOO | 0.4 | 0.790323 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KET | 0.9827 |
2 | 3QP | 0.9786 |
3 | PLP 0A0 | 0.9570 |
4 | ASP PLP | 0.9414 |
5 | PLP 2ML | 0.9135 |
6 | PLP ALO | 0.9053 |
7 | PM9 | 0.9033 |
8 | SER PLP | 0.9017 |
9 | L7N | 0.8973 |
10 | SEP PLP | 0.8952 |
11 | HCP | 0.8904 |
12 | PLP 2TL | 0.8835 |
13 | PLP MET | 0.8776 |
14 | LEU PLP | 0.8763 |
15 | TYR PLP | 0.8761 |
16 | EPC | 0.8752 |
17 | MET PLP | 0.8742 |
18 | PLP PHE | 0.8722 |
19 | PLI | 0.8722 |
20 | 6DF | 0.8693 |
21 | GLU PLP | 0.8664 |
22 | MPM | 0.8640 |
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 |