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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 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 4Q3F | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
29 | 6C5F | Ki = 33 uM | 7L9 | C14 H9 N O6 | c1cc(cc(c1.... |
30 | 3RF5 | Ki = 2.37 uM | FUZ | C12 H11 N O3 | c1ccc(c(c1.... |
31 | 3RF4 | Ki = 0.56 uM | FUN | C12 H11 Cl N2 O5 S | c1cc(oc1)C.... |
32 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F91 | 0.9297 |
2 | 7SB | 0.9162 |
3 | B7U | 0.9139 |
4 | A6E | 0.9072 |
5 | EUB | 0.9032 |
6 | BZM | 0.9011 |
7 | REG | 0.9000 |
8 | 9RK | 0.8989 |
9 | 4KN | 0.8984 |
10 | D2S | 0.8976 |
11 | O2Q | 0.8969 |
12 | SVG | 0.8967 |
13 | HPK | 0.8952 |
14 | IPJ | 0.8919 |
15 | OA5 | 0.8904 |
16 | BFS | 0.8904 |
17 | 4JW | 0.8892 |
18 | UUL | 0.8875 |
19 | 0QX | 0.8863 |
20 | 1A6 | 0.8859 |
21 | AUQ | 0.8853 |
22 | PRO GLY ALA | 0.8843 |
23 | EX7 | 0.8833 |
24 | 6IP | 0.8832 |
25 | CWP | 0.8808 |
26 | OUL | 0.8804 |
27 | 7O8 | 0.8802 |
28 | 00G | 0.8798 |
29 | Q86 | 0.8791 |
30 | 6NJ | 0.8786 |
31 | PHQ ALA | 0.8784 |
32 | N08 | 0.8779 |
33 | AX6 | 0.8769 |
34 | QTK | 0.8751 |
35 | SZA | 0.8744 |
36 | D4G | 0.8739 |
37 | JF5 | 0.8729 |
38 | 5RW | 0.8723 |
39 | M62 | 0.8719 |
40 | JON | 0.8718 |
41 | M29 | 0.8716 |
42 | X8W | 0.8716 |
43 | 9HK | 0.8699 |
44 | 9JH | 0.8679 |
45 | 2BI | 0.8651 |
46 | JOT | 0.8649 |
47 | JOQ | 0.8649 |
48 | 5RX | 0.8643 |
49 | XO3 | 0.8642 |
50 | PHQ THR | 0.8633 |
51 | GB2 | 0.8632 |
52 | GP6 | 0.8628 |
53 | 21X | 0.8622 |
54 | HXS | 0.8615 |
55 | 9W8 | 0.8600 |
56 | BXB | 0.8594 |
57 | 873 | 0.8588 |
58 | HRS | 0.8581 |
59 | EXP | 0.8579 |
60 | 4BG | 0.8566 |
61 | AL5 | 0.8548 |
62 | 5V0 | 0.8544 |
63 | WLL | 0.8544 |
64 | N5B | 0.8525 |
65 | 5RZ | 0.8502 |
This union binding pocket(no: 1) in the query (biounit: 3l5r.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |