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- 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 | 6EA1 | Ki = 257 nM | J0Y | C17 H11 F7 N2 O3 | c1cc(ccc1c.... |
2 | 4K5N | Ki = 127 uM | 1OU | C8 H13 N4 O3 P | [H]/N=C(/N.... |
3 | 4R5T | Ki = 0.8 uM | R5T | C16 H20 N4 O4 | CC(C)(C)OC.... |
4 | 4ZX6 | Ki = 5.4 uM | 4U6 | C20 H24 N4 O4 | CC(C)(C)C(.... |
5 | 4K5P | Ki = 345 uM | 1OS | C8 H12 N3 O3 P | [H]/N=C(c1.... |
6 | 6EAB | Ki = 431 nM | J2D | C20 H19 F3 N2 O4 | c1cc(ccc1c.... |
7 | 4ZX5 | Ki = 0.64 uM | 4TM | C17 H20 N2 O3 S | CC(C)(C)C(.... |
8 | 3EBH | Ki = 478.2 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
9 | 6SBQ | Ki = 0.04 uM | 7ML | C17 H20 N O2 | c1ccc(cc1).... |
10 | 6EE4 | Ki = 202 nM | J4S | C19 H17 F3 N2 O3 | c1cc(ccc1c.... |
11 | 4ZX4 | Ki = 0.078 uM | 4TL | C19 H19 F3 N2 O3 | CC(C)(C)C(.... |
12 | 4ZW7 | Ki = 19 uM | 4SZ | C19 H19 F3 N2 O4 | CC(C)(C)OC.... |
13 | 4ZW3 | Ki = 0.027 uM | 4S9 | C13 H17 Br N2 O4 | CC(C)(C)OC.... |
14 | 6EED | Ki = 812 nM | J6A | C22 H23 F3 N2 O3 | c1cc(ccc1c.... |
15 | 4K5M | Ki = 193 uM | 1OV | C5 H15 N4 O3 P | [H]/N=C(/N.... |
16 | 4ZW8 | Ki = 1.1 uM | 4T2 | C20 H24 N4 O5 | CC(C)(C)OC.... |
17 | 4ZX3 | Ki = 0.065 uM | 4TK | C13 H17 Br N2 O3 | CC(C)(C)C(.... |
18 | 3Q44 | Ki = 490 nM | D50 | C23 H30 N2 O5 | CC(C)C[C@@.... |
19 | 6EE3 | Ki = 137 nM | J4V | C25 H25 F3 N2 O3 | c1cc(ccc1c.... |
20 | 3Q43 | Ki = 43 nM | D66 | C17 H26 N2 O5 | CC(C)C[C@@.... |
21 | 4ZW5 | Ki = 37 uM | 4SA | C19 H22 N2 O4 | CC(C)(C)OC.... |
22 | 4X2U | - | TOD | C16 H22 N2 O6 | CC(C)C[C@H.... |
23 | 6SBR | Ki = 0.005 uM | L5E | C11 H14 Br2 N O2 | c1cc(c2c(c.... |
24 | 6EE6 | Ki = 216 nM | J4P | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
25 | 3T8V | Ki = 260 nM | BTJ | C54 H67 N7 O11 | C[C@@H](C(.... |
26 | 4K5O | Ki = 104 uM | 1OT | C10 H12 N3 O3 P | c1cnn(c1)c.... |
27 | 4R5X | Ki = 5.5 uM | R5X | C18 H17 N5 O3 | c1cc(cc(c1.... |
28 | 6EA2 | Ki = 285 nM | J1G | C20 H19 F3 N2 O3 | c1cc(ccc1c.... |
29 | 3EBI | Ki = 79 nM | BEY | C19 H24 N O4 P | c1ccc(cc1).... |
30 | 4ZW6 | Ki = 1.9 uM | 4SY | C17 H22 N4 O4 | CC(C)(C)OC.... |
31 | 6EAA | Ki = 818 nM | J1V | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
32 | 4R5V | Ki = 0.7 uM | R5V | C16 H20 N4 O3 | CC(C)(C)C(.... |
33 | 4K5L | Ki = 11 uM | 19N | C6 H17 N4 O3 P | [H]/N=C(N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5MFT | Ki = 34 nM | 7MF | C17 H19 Br N O2 | c1ccc(cc1).... |
2 | 3B3B | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 3B2X | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
4 | 4Q4I | ic50 = 0.047 uM | L2O VAL VAL ASP | n/a | n/a |
5 | 5MFR | Ki = 50000 nM | 7MK | C11 H16 N O2 | c1ccc2c(c1.... |
6 | 3B34 | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
7 | 2ZXG | Ki = 0.00000079 M | S23 | C21 H27 N2 O5 P | C[C@H](N)[.... |
8 | 3B37 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
9 | 2HPT | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
10 | 6G8B | - | 7MF | C17 H19 Br N O2 | c1ccc(cc1).... |
11 | 2DQM | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
12 | 5MFS | Ki = 330 nM | 7ML | C17 H20 N O2 | c1ccc(cc1).... |
13 | 3KED | ic50 = 3.6 mM | DAB | C4 H10 N2 O2 | C(CN)[C@@H.... |
14 | 3QJX | - | SER | C3 H7 N O3 | C([C@@H](C.... |
15 | 4Q4E | ic50 = 0.19 uM | BB2 | C19 H35 N3 O5 | CCCCC[C@H].... |
16 | 3B2P | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
17 | 6EA1 | Ki = 257 nM | J0Y | C17 H11 F7 N2 O3 | c1cc(ccc1c.... |
18 | 4K5N | Ki = 127 uM | 1OU | C8 H13 N4 O3 P | [H]/N=C(/N.... |
19 | 4R5T | Ki = 0.8 uM | R5T | C16 H20 N4 O4 | CC(C)(C)OC.... |
20 | 4ZX6 | Ki = 5.4 uM | 4U6 | C20 H24 N4 O4 | CC(C)(C)C(.... |
21 | 4K5P | Ki = 345 uM | 1OS | C8 H12 N3 O3 P | [H]/N=C(c1.... |
22 | 6EAB | Ki = 431 nM | J2D | C20 H19 F3 N2 O4 | c1cc(ccc1c.... |
23 | 4ZX5 | Ki = 0.64 uM | 4TM | C17 H20 N2 O3 S | CC(C)(C)C(.... |
24 | 3EBH | Ki = 478.2 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
25 | 6SBQ | Ki = 0.04 uM | 7ML | C17 H20 N O2 | c1ccc(cc1).... |
26 | 6EE4 | Ki = 202 nM | J4S | C19 H17 F3 N2 O3 | c1cc(ccc1c.... |
27 | 4ZX4 | Ki = 0.078 uM | 4TL | C19 H19 F3 N2 O3 | CC(C)(C)C(.... |
28 | 4ZW7 | Ki = 19 uM | 4SZ | C19 H19 F3 N2 O4 | CC(C)(C)OC.... |
29 | 4ZW3 | Ki = 0.027 uM | 4S9 | C13 H17 Br N2 O4 | CC(C)(C)OC.... |
30 | 6EED | Ki = 812 nM | J6A | C22 H23 F3 N2 O3 | c1cc(ccc1c.... |
31 | 4K5M | Ki = 193 uM | 1OV | C5 H15 N4 O3 P | [H]/N=C(/N.... |
32 | 4ZW8 | Ki = 1.1 uM | 4T2 | C20 H24 N4 O5 | CC(C)(C)OC.... |
33 | 4ZX3 | Ki = 0.065 uM | 4TK | C13 H17 Br N2 O3 | CC(C)(C)C(.... |
34 | 3Q44 | Ki = 490 nM | D50 | C23 H30 N2 O5 | CC(C)C[C@@.... |
35 | 6EE3 | Ki = 137 nM | J4V | C25 H25 F3 N2 O3 | c1cc(ccc1c.... |
36 | 3Q43 | Ki = 43 nM | D66 | C17 H26 N2 O5 | CC(C)C[C@@.... |
37 | 4ZW5 | Ki = 37 uM | 4SA | C19 H22 N2 O4 | CC(C)(C)OC.... |
38 | 4X2U | - | TOD | C16 H22 N2 O6 | CC(C)C[C@H.... |
39 | 6SBR | Ki = 0.005 uM | L5E | C11 H14 Br2 N O2 | c1cc(c2c(c.... |
40 | 6EE6 | Ki = 216 nM | J4P | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
41 | 3T8V | Ki = 260 nM | BTJ | C54 H67 N7 O11 | C[C@@H](C(.... |
42 | 4K5O | Ki = 104 uM | 1OT | C10 H12 N3 O3 P | c1cnn(c1)c.... |
43 | 4R5X | Ki = 5.5 uM | R5X | C18 H17 N5 O3 | c1cc(cc(c1.... |
44 | 6EA2 | Ki = 285 nM | J1G | C20 H19 F3 N2 O3 | c1cc(ccc1c.... |
45 | 3EBI | Ki = 79 nM | BEY | C19 H24 N O4 P | c1ccc(cc1).... |
46 | 4ZW6 | Ki = 1.9 uM | 4SY | C17 H22 N4 O4 | CC(C)(C)OC.... |
47 | 6EAA | Ki = 818 nM | J1V | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
48 | 4R5V | Ki = 0.7 uM | R5V | C16 H20 N4 O3 | CC(C)(C)C(.... |
49 | 4K5L | Ki = 11 uM | 19N | C6 H17 N4 O3 P | [H]/N=C(N).... |
50 | 4QHP | Ki = 9 nM | 32Q | C20 H27 N2 O4 P | c1ccc(cc1).... |
51 | 4QIR | Ki = 112 nM | 379 | C18 H23 N2 O4 P | c1ccc(cc1).... |
52 | 4QUO | Ki = 12 nM | 3DZ | C20 H27 N2 O4 P | c1ccc(cc1).... |
53 | 4QPE | - | 37E | C8 H19 N2 O3 P | C1CCC(CC1).... |
54 | 4QME | Ki = 302 nM | 37B | C19 H24 N O4 P | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IBP | 0.9354 |
2 | YI6 | 0.9105 |
3 | EUH | 0.9085 |
4 | 5TT | 0.9035 |
5 | TFQ | 0.8996 |
6 | EPE | 0.8987 |
7 | T11 | 0.8966 |
8 | PTR | 0.8956 |
9 | UA5 | 0.8943 |
10 | F02 | 0.8919 |
11 | 0F3 | 0.8894 |
12 | 2O8 | 0.8887 |
13 | L15 | 0.8871 |
14 | SYD | 0.8854 |
15 | 6DH | 0.8853 |
16 | FLP | 0.8852 |
17 | 3VR | 0.8818 |
18 | 657 | 0.8807 |
19 | 8V8 | 0.8795 |
20 | 5DS | 0.8766 |
21 | NK5 | 0.8764 |
22 | F6R | 0.8758 |
23 | UN3 | 0.8748 |
24 | JW8 | 0.8727 |
25 | 3W6 | 0.8712 |
26 | FCW | 0.8706 |
27 | 3W3 | 0.8706 |
28 | M28 | 0.8704 |
29 | 88L | 0.8679 |
30 | 1FD | 0.8665 |
31 | SNV | 0.8663 |
32 | NPS | 0.8652 |
33 | 19N | 0.8647 |
34 | 9VQ | 0.8634 |
35 | W1G | 0.8634 |
36 | JMM | 0.8589 |
37 | 531 | 0.8584 |
38 | 1OV | 0.8574 |
39 | MKN | 0.8565 |
40 | TEF | 0.8558 |
41 | VD9 | 0.8536 |