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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 5 families. | |||||
1 | 1TJP | - | HPF | C9 H14 N O7 P | c1ccc(c(c1.... |
2 | 1QOQ | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
3 | 4Y6G | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
4 | 1K8Y | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
5 | 2CLM | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
6 | 2TYS | - | PLT | C19 H20 N3 O7 P | Cc1c(c(c(c.... |
7 | 1KFC | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
8 | 1C8V | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
9 | 4KKX | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
10 | 2CLL | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
11 | 3CEP | - | G3P IDM | n/a | n/a |
12 | 2TRS | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
13 | 1KFJ | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
14 | 4HPX | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
15 | 1A5S | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
16 | 2CLI | Kd = 50 uM | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
17 | 5BW6 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
18 | 3PR2 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
19 | 1K8Z | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
20 | 1CW2 | ic50 = 715 nM | HSP | C10 H15 O5 P S | c1ccc(c(c1.... |
21 | 1KFE | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
22 | 2J9X | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
23 | 1BEU | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
24 | 4HT3 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
25 | 2CLK | Kd = 164 uM | G3H | C3 H7 O6 P | C([C@H](C=.... |
26 | 1A50 | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
27 | 2CLH | Kd = 87.6 uM | F19 | C12 H14 N O6 P S | c1ccc2cc(c.... |
28 | 1C29 | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
29 | 1QOP | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
30 | 1K7E | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
31 | 1FUY | - | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
32 | 1A5B | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
33 | 2J9Y | - | FOO | C11 H13 N2 O7 P | Cc1c(c(c(c.... |
34 | 4ZQC | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
35 | 1KFB | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
36 | 2CLE | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
37 | 1CX9 | ic50 = 178 nM | NHP | C10 H16 N O3 P S | c1ccc(c(c1.... |
38 | 2CLO | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
39 | 1WBJ | Kd = 0.31 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
40 | 1K3U | - | IAD | C14 H14 N2 O5 | c1ccc2c(c1.... |
41 | 2CLF | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
42 | 4HN4 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
43 | 1UBS | - | SER PLP | n/a | n/a |
44 | 1K7F | - | IAV | C15 H18 N2 O3 | CC(C)[C@@H.... |
45 | 2TSY | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
46 | 4HPJ | - | 1D0 | C17 H20 N3 O8 P | Cc1c(c(c(c.... |
47 | 1C9D | ic50 = 499 nM | HF1 | C10 H12 F O4 P S | c1cc(c(cc1.... |
48 | 4WX2 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
49 | 6AM8 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
50 | 6CUZ | - | FEV | C13 H17 N2 O7 P | CC/C=C(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1TJP | - | HPF | C9 H14 N O7 P | c1ccc(c(c1.... |
2 | 1QOQ | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
3 | 4Y6G | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
4 | 1K8Y | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
5 | 2CLM | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
6 | 2TYS | - | PLT | C19 H20 N3 O7 P | Cc1c(c(c(c.... |
7 | 1KFC | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
8 | 1C8V | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
9 | 4KKX | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
10 | 2CLL | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
11 | 3CEP | - | G3P IDM | n/a | n/a |
12 | 2TRS | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
13 | 1KFJ | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
14 | 4HPX | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
15 | 1A5S | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
16 | 2CLI | Kd = 50 uM | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
17 | 5BW6 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
18 | 3PR2 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
19 | 1K8Z | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
20 | 1CW2 | ic50 = 715 nM | HSP | C10 H15 O5 P S | c1ccc(c(c1.... |
21 | 1KFE | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
22 | 2J9X | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
23 | 1BEU | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
24 | 4HT3 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
25 | 2CLK | Kd = 164 uM | G3H | C3 H7 O6 P | C([C@H](C=.... |
26 | 1A50 | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
27 | 2CLH | Kd = 87.6 uM | F19 | C12 H14 N O6 P S | c1ccc2cc(c.... |
28 | 1C29 | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
29 | 1QOP | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
30 | 1K7E | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
31 | 1FUY | - | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
32 | 1A5B | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
33 | 2J9Y | - | FOO | C11 H13 N2 O7 P | Cc1c(c(c(c.... |
34 | 4ZQC | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
35 | 1KFB | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
36 | 2CLE | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
37 | 1CX9 | ic50 = 178 nM | NHP | C10 H16 N O3 P S | c1ccc(c(c1.... |
38 | 2CLO | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
39 | 1WBJ | Kd = 0.31 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
40 | 1K3U | - | IAD | C14 H14 N2 O5 | c1ccc2c(c1.... |
41 | 2CLF | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
42 | 4HN4 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
43 | 1UBS | - | SER PLP | n/a | n/a |
44 | 1K7F | - | IAV | C15 H18 N2 O3 | CC(C)[C@@H.... |
45 | 2TSY | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
46 | 4HPJ | - | 1D0 | C17 H20 N3 O8 P | Cc1c(c(c(c.... |
47 | 1C9D | ic50 = 499 nM | HF1 | C10 H12 F O4 P S | c1cc(c(cc1.... |
48 | 4WX2 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
49 | 6AM8 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
50 | 6CUZ | - | FEV | C13 H17 N2 O7 P | CC/C=C(C(=.... |
51 | 5TCJ | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
52 | 5TCI | Kd = 132 nM | 79V | C17 H15 F N2 O | c1ccc(c(c1.... |
53 | 5TCH | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
54 | 6USA | - | PZJ | C14 H19 Cl N2 O3 S | c1ccc(c(c1.... |
55 | 6U6C | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
56 | 5TCG | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SER PLP | 1 | 1 |
2 | PLP ALO | 0.704225 | 0.943396 |
3 | PLP PHE | 0.701299 | 0.907407 |
4 | PLP 999 | 0.694444 | 0.943396 |
5 | KOU | 0.671429 | 0.910714 |
6 | PLP PVH | 0.646341 | 0.78125 |
7 | GLY PLP | 0.633803 | 0.888889 |
8 | PLP ABU | 0.584416 | 0.875 |
9 | PL6 | 0.571429 | 0.827586 |
10 | PLP MYB | 0.564706 | 0.731343 |
11 | PL5 | 0.548781 | 0.786885 |
12 | F0G | 0.546667 | 0.839286 |
13 | PLP PUT | 0.538462 | 0.8 |
14 | EPC | 0.534247 | 0.803571 |
15 | PUS | 0.53012 | 0.746269 |
16 | P70 | 0.53012 | 0.842105 |
17 | EQJ | 0.529412 | 0.793651 |
18 | 5DK | 0.529412 | 0.793651 |
19 | 6DF | 0.5125 | 0.758621 |
20 | FEJ | 0.506173 | 0.827586 |
21 | PLP 142 | 0.494624 | 0.78125 |
22 | EVM | 0.493671 | 0.928571 |
23 | 4LM | 0.493506 | 0.79661 |
24 | 0JO | 0.493506 | 0.813559 |
25 | Q0P | 0.483516 | 0.774194 |
26 | PLT | 0.473118 | 0.774194 |
27 | FEV | 0.4625 | 0.783333 |
28 | Z98 | 0.452381 | 0.790323 |
29 | EXT | 0.448718 | 0.810345 |
30 | ASP PLP | 0.440476 | 0.824561 |
31 | HCP | 0.439024 | 0.754098 |
32 | MPM | 0.432099 | 0.793103 |
33 | PLP SER | 0.432099 | 0.786885 |
34 | PLP | 0.422535 | 0.781818 |
35 | P3D | 0.421687 | 0.746032 |
36 | P89 | 0.417582 | 0.701493 |
37 | PLP CYS | 0.416667 | 0.790323 |
38 | PZP | 0.416667 | 0.754386 |
39 | FOO | 0.4125 | 0.793103 |
40 | PLP 2TL | 0.411765 | 0.803279 |
41 | SEP PLP | 0.406977 | 0.833333 |
42 | PLP BH2 | 0.406977 | 0.803279 |
43 | PLP PMP | 0.405405 | 0.762712 |
44 | LEU PLP | 0.402299 | 0.777778 |
45 | AN7 | 0.4 | 0.754386 |
46 | PLP 2KZ | 0.4 | 0.786885 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLS | 0.9965 |
2 | P1T | 0.9672 |
3 | 2BO | 0.9592 |
4 | C6P | 0.9590 |
5 | PLG | 0.9582 |
6 | PDA | 0.9544 |
7 | 2BK | 0.9505 |
8 | TLP | 0.9495 |
9 | CKT | 0.9431 |
10 | PLI | 0.9405 |
11 | PP3 | 0.9405 |
12 | PDD | 0.9355 |
13 | PLP GLY | 0.9309 |
14 | 5PA | 0.9300 |
15 | IN5 | 0.9298 |
16 | DCS | 0.9266 |
17 | 7TS | 0.9230 |
18 | PLP MET | 0.9135 |
19 | MET PLP | 0.9132 |
20 | L7N | 0.9097 |
21 | IK2 | 0.9085 |
22 | LCS | 0.9073 |
23 | PPD | 0.9017 |
24 | PM9 | 0.8996 |
25 | PLP 2ML | 0.8993 |
26 | PY5 | 0.8964 |
27 | PMH | 0.8946 |
28 | ILP | 0.8939 |
29 | PLA | 0.8936 |
30 | KET | 0.8897 |
31 | 7XF | 0.8851 |
32 | OJQ | 0.8846 |
33 | 3QP | 0.8843 |
34 | 3LM | 0.8787 |
35 | PLP 0A0 | 0.8787 |
36 | PGU | 0.8744 |
37 | 07U | 0.8737 |
38 | PPE | 0.8704 |
39 | 8JF | 0.8696 |
40 | PLP SEP | 0.8636 |
41 | P19 | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 1cx9.bio1) has 74 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1cx9.bio1) has 74 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |