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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 6TOM | ic50 = 0.52 uM | NQZ | C24 H31 Cl F2 N6 O2 | C[C@@H]1CN.... |
2 | 6TOJ | ic50 = 0.86 uM | NQQ | C19 H20 Cl N5 O2 | CC(C)(CCN1.... |
3 | 5X9O | Kd = 5 uM | 80R | C13 H9 Cl N4 O3 | c1cc2c(cc1.... |
4 | 5X4P | Kd = 9.3 uM | 7ZO | C12 H9 Cl N4 O | c1cc2c(cc1.... |
5 | 5X4O | Kd = 88 uM | YAM | C21 H20 F3 N7 O3 S | CN(c1c(ccc.... |
6 | 5H7H | ic50 = 170 uM | ACE TRP ARG VAL PRO | n/a | n/a |
7 | 5X4N | Kd = 68 uM | 7ZL | C10 H9 Cl N4 | c1ccc(cc1).... |
8 | 5X4M | Kd = 1200 uM | 7ZF | C9 H9 N5 | c1ccc(cc1).... |
9 | 5X4Q | Kd = 0.078 uM | 7Z6 | C18 H15 Cl N6 O | c1cc(cnc1).... |
10 | 5X9P | ic50 = 0.13 uM | 80L | C16 H14 Cl N5 O5 | c1cc2c(cc1.... |
11 | 6TOL | ic50 = 0.15 uM | NQW | C23 H31 Cl N6 O3 | C[C@@H]1CN.... |
12 | 5MW6 | ic50 = 18648 nM | RC0 | C15 H13 Cl2 N5 | Cc1cc(n(n1.... |
13 | 5N20 | ic50 = 61 uM | 8GN | C24 H29 N9 O | CC(=O)Nc1c.... |
14 | 3LBZ | Kd = 138 uM | Z89 | C15 H9 Br N2 O6 S2 | c1cc2c(cc1.... |
15 | 6TOG | ic50 = 207 uM | NQH | C10 H10 Cl N3 | c1cnc(c(c1.... |
16 | 6CQ1 | Kd = 219 uM | F8J | C30 H39 N7 O S | CC(C)NC(=O.... |
17 | 4CP3 | - | RBT | C46 H62 N4 O11 | Cc1c(c2c3c.... |
18 | 6TOH | ic50 = 10.5 uM | NQK | C15 H12 Cl N5 O | CN1c2ccc(c.... |
19 | 6TOI | ic50 = 1.7 uM | NQN | C18 H18 Cl N5 O2 | C[C@H](CCN.... |
20 | 5MW2 | ic50 < 3 nM | U52 | C24 H29 Cl N6 O3 | C[C@@H]1C[.... |
21 | 6EW6 | Kd > 829 uM | C0H | C9 H8 Cl N5 | c1ccc(c(c1.... |
22 | 6C3L | Kd = 44 uM | EGP | C31 H39 N7 O2 S | CN1CCN(CC1.... |
23 | 6TOF | ic50 = 86 uM | NQE | C15 H13 N5 O | CN1c2ccc(c.... |
24 | 6TON | ic50 = 0.097 uM | NR5 | C25 H35 Cl N6 O3 | CC1(CN(CC(.... |
25 | 6EW8 | - | C0Q | C21 H25 Cl N6 O3 | CN1c2c(cc3.... |
26 | 6TOK | ic50 = 0.26 uM | NQT | C22 H26 Cl N7 O2 | Cc1cc(n(n1.... |
27 | 5N21 | Kd = 1.1 uM | 8HN | C22 H21 N7 O3 | c1cc2c(cc1.... |
28 | 5MWD | ic50 = 632 nM | TJ3 | C17 H15 Cl N6 O | Cc1cc(n(n1.... |
29 | 6EW7 | ic50 = 2.9 uM | C1W | C17 H11 Cl2 F N4 O2 | c1cc(ccc1N.... |
30 | 6TOO | ic50 = 5.4 uM | NR8 | C18 H18 Cl N5 O2 | CC[C@@H](C.... |
31 | 5N1Z | Kd = 0.0065 uM | 8GQ | C25 H25 N7 O4 | c1c2cc(c3c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6TOM | ic50 = 0.52 uM | NQZ | C24 H31 Cl F2 N6 O2 | C[C@@H]1CN.... |
2 | 6TOJ | ic50 = 0.86 uM | NQQ | C19 H20 Cl N5 O2 | CC(C)(CCN1.... |
3 | 5X9O | Kd = 5 uM | 80R | C13 H9 Cl N4 O3 | c1cc2c(cc1.... |
4 | 5X4P | Kd = 9.3 uM | 7ZO | C12 H9 Cl N4 O | c1cc2c(cc1.... |
5 | 5X4O | Kd = 88 uM | YAM | C21 H20 F3 N7 O3 S | CN(c1c(ccc.... |
6 | 5H7H | ic50 = 170 uM | ACE TRP ARG VAL PRO | n/a | n/a |
7 | 5X4N | Kd = 68 uM | 7ZL | C10 H9 Cl N4 | c1ccc(cc1).... |
8 | 5X4M | Kd = 1200 uM | 7ZF | C9 H9 N5 | c1ccc(cc1).... |
9 | 5X4Q | Kd = 0.078 uM | 7Z6 | C18 H15 Cl N6 O | c1cc(cnc1).... |
10 | 5X9P | ic50 = 0.13 uM | 80L | C16 H14 Cl N5 O5 | c1cc2c(cc1.... |
11 | 6TOL | ic50 = 0.15 uM | NQW | C23 H31 Cl N6 O3 | C[C@@H]1CN.... |
12 | 5MW6 | ic50 = 18648 nM | RC0 | C15 H13 Cl2 N5 | Cc1cc(n(n1.... |
13 | 5N20 | ic50 = 61 uM | 8GN | C24 H29 N9 O | CC(=O)Nc1c.... |
14 | 3LBZ | Kd = 138 uM | Z89 | C15 H9 Br N2 O6 S2 | c1cc2c(cc1.... |
15 | 6TOG | ic50 = 207 uM | NQH | C10 H10 Cl N3 | c1cnc(c(c1.... |
16 | 6CQ1 | Kd = 219 uM | F8J | C30 H39 N7 O S | CC(C)NC(=O.... |
17 | 4CP3 | - | RBT | C46 H62 N4 O11 | Cc1c(c2c3c.... |
18 | 6TOH | ic50 = 10.5 uM | NQK | C15 H12 Cl N5 O | CN1c2ccc(c.... |
19 | 6TOI | ic50 = 1.7 uM | NQN | C18 H18 Cl N5 O2 | C[C@H](CCN.... |
20 | 5MW2 | ic50 < 3 nM | U52 | C24 H29 Cl N6 O3 | C[C@@H]1C[.... |
21 | 6EW6 | Kd > 829 uM | C0H | C9 H8 Cl N5 | c1ccc(c(c1.... |
22 | 6C3L | Kd = 44 uM | EGP | C31 H39 N7 O2 S | CN1CCN(CC1.... |
23 | 6TOF | ic50 = 86 uM | NQE | C15 H13 N5 O | CN1c2ccc(c.... |
24 | 6TON | ic50 = 0.097 uM | NR5 | C25 H35 Cl N6 O3 | CC1(CN(CC(.... |
25 | 6EW8 | - | C0Q | C21 H25 Cl N6 O3 | CN1c2c(cc3.... |
26 | 6TOK | ic50 = 0.26 uM | NQT | C22 H26 Cl N7 O2 | Cc1cc(n(n1.... |
27 | 5N21 | Kd = 1.1 uM | 8HN | C22 H21 N7 O3 | c1cc2c(cc1.... |
28 | 5MWD | ic50 = 632 nM | TJ3 | C17 H15 Cl N6 O | Cc1cc(n(n1.... |
29 | 6EW7 | ic50 = 2.9 uM | C1W | C17 H11 Cl2 F N4 O2 | c1cc(ccc1N.... |
30 | 6TOO | ic50 = 5.4 uM | NR8 | C18 H18 Cl N5 O2 | CC[C@@H](C.... |
31 | 5N1Z | Kd = 0.0065 uM | 8GQ | C25 H25 N7 O4 | c1c2cc(c3c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CK6 | 0.9311 |
2 | UUL | 0.9172 |
3 | CK8 | 0.9165 |
4 | B6B | 0.9145 |
5 | K6B | 0.9145 |
6 | 6EP | 0.9120 |
7 | I46 | 0.9073 |
8 | XO3 | 0.9056 |
9 | 4UB | 0.9037 |
10 | 460 | 0.9019 |
11 | 2HW | 0.8992 |
12 | UNM | 0.8969 |
13 | O74 | 0.8965 |
14 | F45 | 0.8950 |
15 | 6QJ | 0.8944 |
16 | 1QJ | 0.8928 |
17 | EVU | 0.8925 |
18 | 4V9 | 0.8919 |
19 | 6XC | 0.8903 |
20 | 8MY | 0.8894 |
21 | 29B | 0.8890 |
22 | GG5 | 0.8882 |
23 | 583 | 0.8858 |
24 | 1BJ | 0.8855 |
25 | L0F | 0.8826 |
26 | ZZ6 | 0.8815 |
27 | CQU | 0.8812 |
28 | REN | 0.8808 |
29 | UI2 | 0.8807 |
30 | 362 | 0.8801 |
31 | P4A | 0.8796 |
32 | TDH | 0.8793 |
33 | C9Q | 0.8792 |
34 | 35X | 0.8724 |
35 | DTQ | 0.8710 |
36 | 0JP | 0.8707 |
37 | YI5 | 0.8701 |
38 | S0K | 0.8698 |
39 | FVY | 0.8671 |
40 | 3RA | 0.8664 |
41 | BYE | 0.8656 |
42 | XEZ | 0.8653 |
43 | 855 | 0.8652 |
44 | 61Y | 0.8648 |
45 | EU2 | 0.8648 |
46 | 9ZS | 0.8631 |
47 | 1TM | 0.8624 |
48 | PDB | 0.8610 |
49 | T3S | 0.8599 |
50 | 50R | 0.8594 |
51 | 2H4 | 0.8587 |
52 | LCI | 0.8587 |
53 | KTK | 0.8586 |
54 | EHR | 0.8585 |
55 | FB8 | 0.8572 |
56 | 8XT | 0.8569 |
57 | OA5 | 0.8567 |
58 | JYM | 0.8566 |
59 | 26K | 0.8555 |
This union binding pocket(no: 1) in the query (biounit: 5mw2.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5mw2.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |