- 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 5 families. | |||||
1 | 3HT5 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 5U3F | - | 7TS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
26 | 3UZO | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
27 | 3UYY | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
28 | 3HT5 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
29 | 5U3F | - | 7TS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7TS | 1 | 1 |
2 | PL8 | 0.597561 | 0.810127 |
3 | PMH | 0.578947 | 0.893333 |
4 | 7B9 | 0.564706 | 0.772152 |
5 | DCS | 0.5625 | 0.933333 |
6 | IN5 | 0.533333 | 0.72 |
7 | PLG | 0.533333 | 0.714286 |
8 | P1T | 0.532468 | 0.753247 |
9 | IK2 | 0.525641 | 0.753247 |
10 | 5PA | 0.518987 | 0.708861 |
11 | PDA | 0.512821 | 0.723684 |
12 | PP3 | 0.512821 | 0.723684 |
13 | PDD | 0.512821 | 0.723684 |
14 | PSZ | 0.511905 | 0.734177 |
15 | PXG | 0.511628 | 0.714286 |
16 | RW2 | 0.511628 | 0.75641 |
17 | PXP | 0.507246 | 0.671233 |
18 | 33P | 0.506329 | 0.688312 |
19 | TLP | 0.5 | 0.746667 |
20 | PMP | 0.5 | 0.702703 |
21 | PLS | 0.5 | 0.736842 |
22 | 2BO | 0.5 | 0.746667 |
23 | 2BK | 0.5 | 0.746667 |
24 | PDG | 0.493976 | 0.696203 |
25 | PGU | 0.493976 | 0.696203 |
26 | PPD | 0.493827 | 0.714286 |
27 | C6P | 0.493827 | 0.714286 |
28 | GT1 | 0.492958 | 0.61039 |
29 | PLA | 0.487805 | 0.679012 |
30 | PY5 | 0.487805 | 0.679012 |
31 | 7XF | 0.47619 | 0.696203 |
32 | CBA | 0.47619 | 0.810811 |
33 | ILP | 0.47619 | 0.705128 |
34 | 0LD | 0.474747 | 0.833333 |
35 | 9YM | 0.471264 | 0.74026 |
36 | LPI | 0.470588 | 0.654762 |
37 | LCS | 0.470588 | 0.87013 |
38 | QLP | 0.470588 | 0.725 |
39 | PL2 | 0.470588 | 0.619048 |
40 | PMG | 0.470588 | 0.662651 |
41 | HEY | 0.465116 | 0.74359 |
42 | PY6 | 0.465116 | 0.662651 |
43 | 76U | 0.465116 | 0.666667 |
44 | N5F | 0.45977 | 0.6875 |
45 | ORX | 0.45977 | 0.6875 |
46 | EA5 | 0.45977 | 0.691358 |
47 | 3LM | 0.45977 | 0.725 |
48 | PE1 | 0.454545 | 0.6875 |
49 | AQ3 | 0.446809 | 0.721519 |
50 | DN9 | 0.445652 | 0.753086 |
51 | 0PR | 0.444444 | 0.705128 |
52 | PL4 | 0.444444 | 0.6875 |
53 | OJQ | 0.435294 | 0.87013 |
54 | KAM | 0.434783 | 0.666667 |
55 | CKT | 0.416667 | 0.679487 |
56 | 1D0 | 0.402062 | 0.7125 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KOU | 0.9478 |
2 | L7N | 0.9421 |
3 | PLP SER | 0.9324 |
4 | 0JO | 0.9324 |
5 | PLI | 0.9318 |
6 | F0G | 0.9235 |
7 | SER PLP | 0.9230 |
8 | EVM | 0.9230 |
9 | PLP 2TL | 0.9210 |
10 | PLP CYS | 0.9162 |
11 | EPC | 0.9148 |
12 | PLP AOA | 0.9109 |
13 | PLP 2KZ | 0.9088 |
14 | FOO | 0.8920 |
15 | AN7 | 0.8908 |
16 | MPM | 0.8831 |
17 | GLY PLP | 0.8817 |
18 | FGN | 0.8774 |
19 | PLP ALO | 0.8727 |
20 | IRG | 0.8612 |
21 | Q17 | 0.8569 |