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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 271 families. | |||||
1 | 4BZ8 | - | J38 | C10 H10 N2 O3 S | C[C@@H]1C(.... |
2 | 6HQY | Kd = 367 nM | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
3 | 4BZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
4 | 6HU2 | ic50 = 1260 nM | T34 | C15 H16 N2 O2 | Cc1ccc(cc1.... |
5 | 6HU0 | ic50 = 122 nM | T86 | C15 H12 Cl2 N2 O4 | COc1ccc(cc.... |
6 | 4CQF | - | 9Z8 | C14 H20 N2 O2 S | c1ccc(cc1).... |
7 | 6HTG | ic50 = 67 nM | T61 | C14 H11 Cl N2 O3 | c1ccc(cc1).... |
8 | 6GX3 | ic50 = 250 nM | FF2 | C9 H6 Cl N O2 S | c1cc2c(cc(.... |
9 | 6GXU | ic50 = 180 nM | FG8 | C15 H12 Cl N O2 S | c1ccc(c(c1.... |
10 | 6HTI | ic50 = 97 nM | GQW | C16 H11 Cl N2 O3 S | c1cc2ccsc2.... |
11 | 6HSG | - | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
12 | 6TLD | Kd = 4.4 uM | NK5 | C9 H8 N4 O2 | c1ccc(cc1).... |
13 | 6HT8 | ic50 = 190 nM | GQE | C15 H14 N2 O4 | COc1ccc(cc.... |
14 | 6HU1 | ic50 = 191 nM | GT2 | C14 H9 Cl3 N2 O3 | c1cc(c(cc1.... |
15 | 6HRQ | Kd = 81.7 nM | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
16 | 6HSF | - | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
17 | 4BZ9 | - | KMY | C9 H6 Cl N O2 S | c1ccc2c(c1.... |
18 | 6HSZ | ic50 = 116 nM | GOW | C15 H14 N2 O3 | Cc1ccc(cc1.... |
19 | 6GXW | ic50 = 440 nM | FGN | C16 H13 Cl2 N O3 | c1ccc(c(c1.... |
20 | 6FU1 | ic50 = 4.4 uM | E7Q | C16 H19 Cl N2 O4 | CCCCCC(=O).... |
21 | 6GXA | ic50 = 60 nM | TB8 | C9 H8 Cl N O2 | c1ccc(c(c1.... |
22 | 5FUE | ic50 = 468.2 nM | UV4 | C14 H10 N2 O3 | c1ccc(cc1).... |
23 | 6HSH | Kd = 28.4 nM | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
24 | 6HU3 | ic50 = 504 nM | GRZ | C15 H10 Cl F N4 O3 | c1cc(ccc1O.... |
25 | 6HTT | ic50 = 220 nM | GQZ | C14 H12 N2 O3 | c1ccc(cc1).... |
26 | 4BZ6 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
27 | 4BZ5 | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
28 | 6HTZ | ic50 = 183 nM | GRK | C16 H16 N2 O4 | COc1ccc(cc.... |
29 | 6HTH | ic50 = 75 nM | GQN | C21 H18 N2 O4 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 4BZ8 | - | J38 | C10 H10 N2 O3 S | C[C@@H]1C(.... |
2 | 6HQY | Kd = 367 nM | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
3 | 4BZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
4 | 6HU2 | ic50 = 1260 nM | T34 | C15 H16 N2 O2 | Cc1ccc(cc1.... |
5 | 6HU0 | ic50 = 122 nM | T86 | C15 H12 Cl2 N2 O4 | COc1ccc(cc.... |
6 | 4CQF | - | 9Z8 | C14 H20 N2 O2 S | c1ccc(cc1).... |
7 | 6HTG | ic50 = 67 nM | T61 | C14 H11 Cl N2 O3 | c1ccc(cc1).... |
8 | 6GX3 | ic50 = 250 nM | FF2 | C9 H6 Cl N O2 S | c1cc2c(cc(.... |
9 | 6GXU | ic50 = 180 nM | FG8 | C15 H12 Cl N O2 S | c1ccc(c(c1.... |
10 | 6HTI | ic50 = 97 nM | GQW | C16 H11 Cl N2 O3 S | c1cc2ccsc2.... |
11 | 6HSG | - | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
12 | 6TLD | Kd = 4.4 uM | NK5 | C9 H8 N4 O2 | c1ccc(cc1).... |
13 | 6HT8 | ic50 = 190 nM | GQE | C15 H14 N2 O4 | COc1ccc(cc.... |
14 | 6HU1 | ic50 = 191 nM | GT2 | C14 H9 Cl3 N2 O3 | c1cc(c(cc1.... |
15 | 6HRQ | Kd = 81.7 nM | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
16 | 6HSF | - | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
17 | 4BZ9 | - | KMY | C9 H6 Cl N O2 S | c1ccc2c(c1.... |
18 | 6HSZ | ic50 = 116 nM | GOW | C15 H14 N2 O3 | Cc1ccc(cc1.... |
19 | 6GXW | ic50 = 440 nM | FGN | C16 H13 Cl2 N O3 | c1ccc(c(c1.... |
20 | 6FU1 | ic50 = 4.4 uM | E7Q | C16 H19 Cl N2 O4 | CCCCCC(=O).... |
21 | 6GXA | ic50 = 60 nM | TB8 | C9 H8 Cl N O2 | c1ccc(c(c1.... |
22 | 5FUE | ic50 = 468.2 nM | UV4 | C14 H10 N2 O3 | c1ccc(cc1).... |
23 | 6HSH | Kd = 28.4 nM | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
24 | 6HU3 | ic50 = 504 nM | GRZ | C15 H10 Cl F N4 O3 | c1cc(ccc1O.... |
25 | 6HTT | ic50 = 220 nM | GQZ | C14 H12 N2 O3 | c1ccc(cc1).... |
26 | 4BZ6 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
27 | 4BZ5 | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
28 | 6HTZ | ic50 = 183 nM | GRK | C16 H16 N2 O4 | COc1ccc(cc.... |
29 | 6HTH | ic50 = 75 nM | GQN | C21 H18 N2 O4 | COc1ccc(cc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UV4 | 0.9752 |
2 | GT2 | 0.9553 |
3 | LLX | 0.9524 |
4 | T86 | 0.9428 |
5 | F13 | 0.9296 |
6 | DN8 | 0.9271 |
7 | BRY | 0.9268 |
8 | GQW | 0.9209 |
9 | MT6 | 0.9125 |
10 | 6FX | 0.9098 |
11 | 0H5 | 0.9038 |
12 | SAK | 0.8959 |
13 | FY8 | 0.8946 |
14 | LU2 | 0.8929 |
15 | AGI | 0.8924 |
16 | TVZ | 0.8916 |
17 | NAR | 0.8915 |
18 | L7A | 0.8914 |
19 | 6B5 | 0.8894 |
20 | 4RG | 0.8889 |
21 | 3TI | 0.8884 |
22 | XZ1 | 0.8860 |
23 | JBB | 0.8857 |
24 | ML1 | 0.8851 |
25 | JYM | 0.8832 |
26 | 4L6 | 0.8826 |
27 | T21 | 0.8810 |
28 | 3Q0 | 0.8806 |
29 | 3JC | 0.8801 |
30 | 3DH | 0.8790 |
31 | LZ7 | 0.8788 |
32 | 57D | 0.8784 |
33 | OVS | 0.8775 |
34 | DFV | 0.8775 |
35 | CHV | 0.8768 |
36 | A45 | 0.8768 |
37 | LD9 | 0.8766 |
38 | 3Q1 | 0.8766 |
39 | U4J | 0.8753 |
40 | O9Z | 0.8752 |
41 | 499 | 0.8749 |
42 | H0V | 0.8745 |
43 | K4T | 0.8742 |
44 | DUL | 0.8738 |
45 | 7SB | 0.8728 |
46 | KVD | 0.8719 |
47 | 3DV | 0.8718 |
48 | NU3 | 0.8712 |
49 | 4K2 | 0.8708 |
50 | 43J | 0.8705 |
51 | AMP | 0.8702 |
52 | WDX | 0.8697 |
53 | GKW | 0.8695 |
54 | 16V | 0.8691 |
55 | J8G | 0.8690 |
56 | 0FZ | 0.8683 |
57 | 3Q2 | 0.8668 |
58 | O9Q | 0.8657 |
59 | 43G | 0.8656 |
60 | BHF | 0.8647 |
61 | 6XC | 0.8640 |
62 | EEY | 0.8639 |
63 | E7E | 0.8637 |
64 | IMP | 0.8629 |
65 | HAN | 0.8623 |
66 | U14 | 0.8618 |
67 | IPJ | 0.8605 |
68 | DDC | 0.8605 |
69 | 3XL | 0.8599 |
70 | PVP | 0.8598 |
71 | OJ7 | 0.8596 |
72 | EBB | 0.8590 |
73 | AT2 | 0.8571 |
74 | TCT | 0.8564 |
75 | 8QB | 0.8563 |
This union binding pocket(no: 1) in the query (biounit: 6gxa.bio4) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6gxa.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6gxa.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6gxa.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |