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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 31 families. | |||||
1 | 5IVE | Kd = 0.027 uM | 6E8 | C11 H12 N4 O | CC1=C(C(=O.... |
2 | 6DQA | - | H6V | C22 H25 N3 O3 S | c1cc(cc(c1.... |
3 | 6BGX | Kd = 0.47 uM | DKV | C22 H21 Cl F2 N2 O3 | c1ccc(c(c1.... |
4 | 6BGV | Kd = 0.18 uM | DQG | C22 H24 Cl N3 O3 | c1ccc(c(c1.... |
5 | 5IVY | Kd = 0.36 uM | 6EO | C14 H11 Cl N2 O3 | c1cc(ccc1C.... |
6 | 6DQ5 | Kd = 6.4 uM | H6G | C20 H24 N6 O3 | C=CC(=O)N1.... |
7 | 6DQ8 | Kd = 0.26 uM | H6S | C22 H23 Cl N2 O3 S | CN1CCC[C@H.... |
8 | 5IWF | - | LQT | C15 H25 N5 O2 | CCN(CCN(C).... |
9 | 5IVC | Kd = 1.2 uM | 6E7 | C20 H17 N3 O3 | c1ccc(cc1).... |
10 | 6BH2 | Kd = 2.4 uM | 90V | C15 H22 N4 O2 | CC(C)c1cc(.... |
11 | 5IVV | Kd = 0.45 uM | 6EN | C14 H12 N4 O2 | Cn1cc(c2c1.... |
12 | 5ISL | Kd = 0.052 uM | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
13 | 6BH5 | Kd = 0.25 uM | DNY | C23 H26 Cl N3 O3 | c1ccc(c(c1.... |
14 | 5E6H | Kd = 79 uM | AKG | C5 H6 O5 | C(CC(=O)O).... |
15 | 6BGU | Kd = 0.53 uM | DKP | C18 H17 Cl N2 O3 | CCCO[C@H](.... |
16 | 6DQ6 | Kd = 8.5 uM | H6J | C19 H24 N6 O4 S | C=CS(=O)(=.... |
17 | 6BH1 | Kd = 0.06 uM | DQG | C22 H24 Cl N3 O3 | c1ccc(c(c1.... |
18 | 6DQ4 | Kd = 12 uM | K0I | C22 H23 N5 O2 | c1ccc2c(c1.... |
19 | 5IW0 | Kd = 0.06 uM | 6EP | C17 H14 Cl N3 O3 | Cc1cc(ccc1.... |
20 | 6BGY | Kd = 0.15 uM | DLJ | C22 H24 Cl N3 O3 | CN1CCC[C@@.... |
21 | 5IVJ | Kd = 0.046 uM | 6ED | C20 H20 F3 N5 O2 | c1cc2c(cc1.... |
22 | 6BH4 | - | DQS | C17 H20 N6 O | CC(C)C1=C(.... |
23 | 5IVB | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
24 | 5IVF | - | 6EB | C15 H14 F3 N5 O2 | Cn1cc(nc1).... |
25 | 6BH0 | Kd = 0.22 uM | DO1 | C22 H24 Cl N3 O3 | c1ccc(c(c1.... |
26 | 6BGZ | Kd = 0.41 uM | DNV | C21 H19 Cl N4 O3 | Cn1ccnc1CC.... |
27 | 6BH3 | - | DQJ | C15 H22 N4 O2 | CC(C)c1cc(.... |
28 | 6BGW | Kd = 0.21 uM | DKS | C22 H22 Cl F2 N3 O3 | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 28 families. | |||||
1 | 6H51 | Ki = 0.016 uM | FQK | C20 H24 N6 O | c1cnc(c2c1.... |
2 | 6H4Z | Ki = 0.002 uM | FQ5 | C23 H23 Cl N6 O | c1cc(cc(c1.... |
3 | 5A3N | ic50 = 19 nM | LQT | C15 H25 N5 O2 | CCN(CCN(C).... |
4 | 6H52 | ic50 = 0.068 uM | FQN | C20 H24 N6 O | c1cnc(c2c1.... |
5 | 5A3W | Ki = 0.39 uM | PD2 | C7 H5 N O4 | c1cnc(cc1C.... |
6 | 6H50 | ic50 = 0.156 uM | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
7 | 5FPL | - | MN QAY | n/a | n/a |
8 | 5FPU | Ki = 0.14 uM | K0I | C22 H23 N5 O2 | c1ccc2c(c1.... |
9 | 5FUP | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
10 | 5FV3 | Ki = 6.32 uM | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
11 | 5A1F | Ki = 6.32 uM | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
12 | 5FUN | Ki = 0.01 uM | GZA | C17 H13 N5 O2 | c1ccc(cc1).... |
13 | 5A3T | Ki = 0.001 uM | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
14 | 5FWJ | Ki = 0.0061 uM | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
15 | 5IVE | Kd = 0.027 uM | 6E8 | C11 H12 N4 O | CC1=C(C(=O.... |
16 | 6DQA | - | H6V | C22 H25 N3 O3 S | c1cc(cc(c1.... |
17 | 6BGX | Kd = 0.47 uM | DKV | C22 H21 Cl F2 N2 O3 | c1ccc(c(c1.... |
18 | 6BGV | Kd = 0.18 uM | DQG | C22 H24 Cl N3 O3 | c1ccc(c(c1.... |
19 | 5IVY | Kd = 0.36 uM | 6EO | C14 H11 Cl N2 O3 | c1cc(ccc1C.... |
20 | 6DQ5 | Kd = 6.4 uM | H6G | C20 H24 N6 O3 | C=CC(=O)N1.... |
21 | 6DQ8 | Kd = 0.26 uM | H6S | C22 H23 Cl N2 O3 S | CN1CCC[C@H.... |
22 | 5IWF | - | LQT | C15 H25 N5 O2 | CCN(CCN(C).... |
23 | 5IVC | Kd = 1.2 uM | 6E7 | C20 H17 N3 O3 | c1ccc(cc1).... |
24 | 6BH2 | Kd = 2.4 uM | 90V | C15 H22 N4 O2 | CC(C)c1cc(.... |
25 | 5IVV | Kd = 0.45 uM | 6EN | C14 H12 N4 O2 | Cn1cc(c2c1.... |
26 | 5ISL | Kd = 0.052 uM | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
27 | 6BH5 | Kd = 0.25 uM | DNY | C23 H26 Cl N3 O3 | c1ccc(c(c1.... |
28 | 5E6H | Kd = 79 uM | AKG | C5 H6 O5 | C(CC(=O)O).... |
29 | 6BGU | Kd = 0.53 uM | DKP | C18 H17 Cl N2 O3 | CCCO[C@H](.... |
30 | 6DQ6 | Kd = 8.5 uM | H6J | C19 H24 N6 O4 S | C=CS(=O)(=.... |
31 | 6BH1 | Kd = 0.06 uM | DQG | C22 H24 Cl N3 O3 | c1ccc(c(c1.... |
32 | 6DQ4 | Kd = 12 uM | K0I | C22 H23 N5 O2 | c1ccc2c(c1.... |
33 | 5IW0 | Kd = 0.06 uM | 6EP | C17 H14 Cl N3 O3 | Cc1cc(ccc1.... |
34 | 6BGY | Kd = 0.15 uM | DLJ | C22 H24 Cl N3 O3 | CN1CCC[C@@.... |
35 | 5IVJ | Kd = 0.046 uM | 6ED | C20 H20 F3 N5 O2 | c1cc2c(cc1.... |
36 | 6BH4 | - | DQS | C17 H20 N6 O | CC(C)C1=C(.... |
37 | 5IVB | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
38 | 5IVF | - | 6EB | C15 H14 F3 N5 O2 | Cn1cc(nc1).... |
39 | 6BH0 | Kd = 0.22 uM | DO1 | C22 H24 Cl N3 O3 | c1ccc(c(c1.... |
40 | 6BGZ | Kd = 0.41 uM | DNV | C21 H19 Cl N4 O3 | Cn1ccnc1CC.... |
41 | 6BH3 | - | DQJ | C15 H22 N4 O2 | CC(C)c1cc(.... |
42 | 6BGW | Kd = 0.21 uM | DKS | C22 H22 Cl F2 N3 O3 | c1ccc(c(c1.... |
43 | 4IGQ | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
44 | 4IGO | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 5ive.bio1) has 37 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |