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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 1 families. | |||||
1 | 1D7U | - | LCS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
2 | 1M0O | Ki = 4.9 mM | MPM | C12 H20 N2 O8 P2 | CC[C@](C)(.... |
3 | 1M0N | Ki = 6 mM | HCP | C13 H20 N2 O8 P2 | Cc1c(c(c(c.... |
4 | 1M0Q | Ki = 1.1 mM | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
5 | 1ZC9 | Kd = 0.6 mM | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
6 | 1D7R | - | 5PA | C12 H17 N2 O7 P | Cc1c(c(c(c.... |
7 | 1D7S | - | DCS | C11 H16 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 2 families. | |||||
1 | 6G4E | - | PLP ACA | n/a | n/a |
2 | 4B9B | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
3 | 4B98 | - | PXG | C15 H17 N2 O7 P | Cc1c(c(c(c.... |
4 | 6IO1 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
5 | 1SZS | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
6 | 1SFF | - | IK2 | C10 H15 N2 O8 P | Cc1c(c(c(c.... |
7 | 3A8U | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
8 | 1D7U | - | LCS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
9 | 1M0O | Ki = 4.9 mM | MPM | C12 H20 N2 O8 P2 | CC[C@](C)(.... |
10 | 1M0N | Ki = 6 mM | HCP | C13 H20 N2 O8 P2 | Cc1c(c(c(c.... |
11 | 1M0Q | Ki = 1.1 mM | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
12 | 1ZC9 | Kd = 0.6 mM | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
13 | 1D7R | - | 5PA | C12 H17 N2 O7 P | Cc1c(c(c(c.... |
14 | 1D7S | - | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DCS | 1 | 1 |
2 | 7TS | 0.5625 | 0.933333 |
3 | IN5 | 0.546667 | 0.72973 |
4 | 9YM | 0.535714 | 0.797297 |
5 | PMH | 0.531646 | 0.905405 |
6 | 5PA | 0.531646 | 0.763158 |
7 | PLG | 0.526316 | 0.746667 |
8 | PL8 | 0.517241 | 0.797468 |
9 | 2BK | 0.5125 | 0.756757 |
10 | TLP | 0.5125 | 0.756757 |
11 | PLS | 0.5125 | 0.794521 |
12 | 2BO | 0.5125 | 0.756757 |
13 | PP3 | 0.506329 | 0.733333 |
14 | PDD | 0.506329 | 0.733333 |
15 | P1T | 0.506329 | 0.74026 |
16 | PDA | 0.506329 | 0.733333 |
17 | PPD | 0.506173 | 0.77027 |
18 | C6P | 0.506173 | 0.77027 |
19 | IK2 | 0.5 | 0.810811 |
20 | LCS | 0.5 | 0.932432 |
21 | 33P | 0.5 | 0.697368 |
22 | PXP | 0.5 | 0.680556 |
23 | PY5 | 0.5 | 0.730769 |
24 | PLA | 0.5 | 0.730769 |
25 | PY6 | 0.494118 | 0.7125 |
26 | PMP | 0.492958 | 0.712329 |
27 | 7B9 | 0.488889 | 0.759494 |
28 | RW2 | 0.488636 | 0.74359 |
29 | PSZ | 0.488372 | 0.74359 |
30 | N5F | 0.488372 | 0.74026 |
31 | 7XF | 0.488095 | 0.75 |
32 | ILP | 0.488095 | 0.714286 |
33 | PDG | 0.488095 | 0.75 |
34 | PGU | 0.488095 | 0.75 |
35 | GT1 | 0.486111 | 0.618421 |
36 | LPI | 0.482353 | 0.703704 |
37 | QLP | 0.482353 | 0.779221 |
38 | PMG | 0.482353 | 0.7125 |
39 | ORX | 0.471264 | 0.74026 |
40 | CBA | 0.470588 | 0.821918 |
41 | PE1 | 0.465909 | 0.74026 |
42 | L7N | 0.465116 | 0.906667 |
43 | PL2 | 0.465116 | 0.666667 |
44 | HEY | 0.45977 | 0.708861 |
45 | 76U | 0.45977 | 0.717949 |
46 | PXG | 0.455556 | 0.723684 |
47 | 0PR | 0.455556 | 0.76 |
48 | PL4 | 0.455556 | 0.74026 |
49 | EA5 | 0.454545 | 0.74359 |
50 | 3LM | 0.454545 | 0.670732 |
51 | OJQ | 0.447059 | 0.881579 |
52 | DN9 | 0.44086 | 0.807692 |
53 | DOW | 0.433962 | 0.792208 |
54 | KAM | 0.430108 | 0.696203 |
55 | AQ3 | 0.427083 | 0.776316 |
56 | CKT | 0.411765 | 0.710526 |
57 | RMT | 0.4 | 0.692308 |
58 | 0LD | 0.4 | 0.77907 |
59 | PZP | 0.4 | 0.621622 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AN7 | 0.9667 |
2 | F0G | 0.9617 |
3 | 0JO | 0.9603 |
4 | PLI | 0.9586 |
5 | PLP SER | 0.9465 |
6 | PLP AOA | 0.9459 |
7 | 4LM | 0.9411 |
8 | KOU | 0.9380 |
9 | EPC | 0.9361 |
10 | EVM | 0.9269 |
11 | SER PLP | 0.9266 |
12 | FOO | 0.9225 |
13 | PLP GLY | 0.9219 |
14 | PLP CYS | 0.9199 |
15 | GLY PLP | 0.9191 |
16 | AKB PLP | 0.9173 |
17 | 07U | 0.9162 |
18 | PLP 2TL | 0.9090 |
19 | IRG | 0.9066 |
20 | PLP ALO | 0.9025 |
21 | MPM | 0.8977 |
22 | FGN | 0.8970 |
23 | BPG | 0.8962 |
24 | PM9 | 0.8939 |
25 | 66P | 0.8911 |
26 | ALH | 0.8867 |
27 | FEV | 0.8841 |
28 | HCP | 0.8838 |
29 | PLP BH2 | 0.8837 |
30 | 7GG | 0.8835 |
31 | 3QP | 0.8810 |
32 | 9KQ | 0.8802 |
33 | 74U | 0.8801 |
34 | Q17 | 0.8784 |
35 | 855 | 0.8782 |
36 | EAR | 0.8772 |
37 | P19 | 0.8764 |
38 | KET | 0.8763 |
39 | ASP PLP | 0.8749 |
40 | IR1 | 0.8747 |
41 | PLP 2KZ | 0.8746 |
42 | PLP 0A0 | 0.8745 |
43 | ZO0 | 0.8743 |
44 | LY2 | 0.8720 |
45 | PLP 999 | 0.8702 |
46 | PLP MET | 0.8683 |
47 | PLP 2ML | 0.8680 |
48 | GDK | 0.8647 |
49 | PLP PUT | 0.8647 |
50 | LEU PLP | 0.8643 |
51 | MET PLP | 0.8629 |
52 | 7CU | 0.8618 |
53 | SCW | 0.8615 |
54 | UIH | 0.8607 |
55 | SCF | 0.8601 |
56 | VAR | 0.8596 |
57 | 6JJ | 0.8593 |
58 | M2N | 0.8553 |
59 | FQW | 0.8531 |