- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 3 families. | |||||
1 | 1ENU | Ki = 8.3 uM | APZ | C8 H7 N3 O2 | c1cc2c(cc1.... |
2 | 2PWU | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
3 | 4Q4S | Kd = 111.6 nM | S98 | C14 H12 N6 O S | c1cc(sc1)C.... |
4 | 2QII | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
5 | 1PXG | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
6 | 4KWO | Ki = 353 nM | 1UD | C18 H24 N6 O5 | CNc1[nH]c2.... |
7 | 2Z7K | Ki = 77 nM | BGU | C9 H8 N6 O | c1c2c(cc3c.... |
8 | 3SM0 | Ki = 740 nM | AEK | C18 H24 N6 O | CNc1[nH]c2.... |
9 | 6RKQ | Ki = 48 uM | K75 | C13 H14 N6 | CC#C[C@@H].... |
10 | 4Q4P | Kd = 407.4 nM | 2YO | C16 H20 N6 O | c1c2c(cc3c.... |
11 | 1K4H | Ki = 7.7 uM | APQ | C12 H16 N4 O S | CCCSCc1cc(.... |
12 | 1EFZ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
13 | 3C2Y | Ki = 1.5 uM | S60 | C10 H9 N5 O | Cc1[nH]c2c.... |
14 | 1Y5X | Ki = 3.7 uM | E89 | C18 H17 N5 O2 | COc1ccc(cc.... |
15 | 1R5Y | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
16 | 3RR4 | Ki = 28050 nM | HRD | C11 H12 N6 O | CNc1[nH]c2.... |
17 | 3EOU | Ki = 97 nM | PK3 | C12 H14 N6 O2 | CNc1[nH]c2.... |
18 | 6FMN | Kd = 1120 nM | E4E | C15 H18 N6 O5 | CO[C@H]1[C.... |
19 | 4Q4Q | Kd = 1638.9 nM | SAQ | C14 H11 N5 O S | c1cc(sc1)C.... |
20 | 4E2V | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
21 | 2Z1X | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
22 | 5JXQ | Ki = 7 nM | 6OK | C19 H20 N6 O2 | c1cc(ccc1C.... |
23 | 1Q66 | Ki = 1.7 uM | KMB | C16 H16 N4 O S | c1ccc(cc1).... |
24 | 1N2V | Ki = 83 uM | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
25 | 1Y5W | Ki = 6.9 uM | NEZ | C18 H17 N5 O | Cc1ccc(cc1.... |
26 | 1Q63 | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
27 | 4PUL | Kd = 146.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
28 | 3GC4 | Ki = 25 nM | AAQ | C19 H21 N7 O | CNc1[nH]c2.... |
29 | 4LBU | Kd = 276 nM | 1WJ | C18 H24 N6 O5 | CNc1[nH]c2.... |
30 | 6RKT | Ki = 17 uM | K7H | C10 H12 N6 | CNc1[nH]c2.... |
31 | 2Z1W | - | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
32 | 1K4G | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
33 | 1P0E | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
34 | 4LEQ | Kd = 288 nM | 1WK | C17 H22 N6 O5 | CNc1[nH]c2.... |
35 | 1P0B | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
36 | 2POT | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 2QZR | Ki = 55 nM | S79 | C20 H16 N6 O | c1ccc2c(c1.... |
38 | 4Q4O | Kd = 34.3 nM | 2YM | C16 H21 N7 O | c1c2c(cc3c.... |
39 | 3S1G | Ki = 6500 nM | ITE | C10 H9 N5 O | CNc1[nH]c2.... |
40 | 4PUM | Kd = 188.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
41 | 1S38 | Ki = 7 uM | MAQ | C9 H9 N3 O | Cc1cccc2c1.... |
42 | 1Q65 | Ki = 3.5 uM | BHB | C13 H19 N5 O S | CN(C)CCSCc.... |
43 | 3EOS | Ki = 4 nM | PK2 | C19 H27 N7 O | CNc1[nH]c2.... |
44 | 1F3E | Ki = 0.2 uM | DPZ | C8 H8 N4 O2 | c1c(cc(c2c.... |
45 | 1Y5V | Ki = 1 uM | NE8 | C17 H15 N5 O | c1ccc(cc1).... |
46 | 1OZQ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
47 | 4PUJ | Kd = 35 nM | CKR | C15 H19 N7 O2 | c1c2c(cc3c.... |
48 | 2BBF | Ki = 7.9 uM | 344 | C9 H7 N5 O | c1c2c(cc3c.... |
49 | 6FPU | Kd = 321 nM | E48 | C21 H26 N6 O6 | CC1(O[C@@H.... |
50 | 1S39 | Ki = 20 nM | AQO | C8 H7 N3 O | c1ccc2c(c1.... |
51 | 3TLL | Ki = 40830 nM | 62D | C12 H14 N6 O | CCNC1=Nc2c.... |
52 | 4PUK | Kd = 52.4 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
53 | 2PWV | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
54 | 3GC5 | Ki = 55 nM | 2MQ | C12 H15 N7 O | CNc1[nH]c2.... |
55 | 3GE7 | Ki = 2 nM | AFQ | C18 H25 N7 O | CNc1[nH]c2.... |
56 | 4Q4R | Kd = 369.2 nM | SQO | C15 H18 N6 O2 | c1c2c(cc3c.... |
57 | 1Q4W | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1ENU | Ki = 8.3 uM | APZ | C8 H7 N3 O2 | c1cc2c(cc1.... |
2 | 2PWU | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
3 | 4Q4S | Kd = 111.6 nM | S98 | C14 H12 N6 O S | c1cc(sc1)C.... |
4 | 2QII | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
5 | 1PXG | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
6 | 4KWO | Ki = 353 nM | 1UD | C18 H24 N6 O5 | CNc1[nH]c2.... |
7 | 2Z7K | Ki = 77 nM | BGU | C9 H8 N6 O | c1c2c(cc3c.... |
8 | 3SM0 | Ki = 740 nM | AEK | C18 H24 N6 O | CNc1[nH]c2.... |
9 | 6RKQ | Ki = 48 uM | K75 | C13 H14 N6 | CC#C[C@@H].... |
10 | 4Q4P | Kd = 407.4 nM | 2YO | C16 H20 N6 O | c1c2c(cc3c.... |
11 | 1K4H | Ki = 7.7 uM | APQ | C12 H16 N4 O S | CCCSCc1cc(.... |
12 | 1EFZ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
13 | 3C2Y | Ki = 1.5 uM | S60 | C10 H9 N5 O | Cc1[nH]c2c.... |
14 | 1Y5X | Ki = 3.7 uM | E89 | C18 H17 N5 O2 | COc1ccc(cc.... |
15 | 1R5Y | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
16 | 3RR4 | Ki = 28050 nM | HRD | C11 H12 N6 O | CNc1[nH]c2.... |
17 | 3EOU | Ki = 97 nM | PK3 | C12 H14 N6 O2 | CNc1[nH]c2.... |
18 | 6FMN | Kd = 1120 nM | E4E | C15 H18 N6 O5 | CO[C@H]1[C.... |
19 | 4Q4Q | Kd = 1638.9 nM | SAQ | C14 H11 N5 O S | c1cc(sc1)C.... |
20 | 4E2V | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
21 | 2Z1X | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
22 | 5JXQ | Ki = 7 nM | 6OK | C19 H20 N6 O2 | c1cc(ccc1C.... |
23 | 1Q66 | Ki = 1.7 uM | KMB | C16 H16 N4 O S | c1ccc(cc1).... |
24 | 1N2V | Ki = 83 uM | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
25 | 1Y5W | Ki = 6.9 uM | NEZ | C18 H17 N5 O | Cc1ccc(cc1.... |
26 | 1Q63 | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
27 | 4PUL | Kd = 146.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
28 | 3GC4 | Ki = 25 nM | AAQ | C19 H21 N7 O | CNc1[nH]c2.... |
29 | 4LBU | Kd = 276 nM | 1WJ | C18 H24 N6 O5 | CNc1[nH]c2.... |
30 | 6RKT | Ki = 17 uM | K7H | C10 H12 N6 | CNc1[nH]c2.... |
31 | 2Z1W | - | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
32 | 1K4G | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
33 | 1P0E | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
34 | 4LEQ | Kd = 288 nM | 1WK | C17 H22 N6 O5 | CNc1[nH]c2.... |
35 | 1P0B | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
36 | 2POT | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 2QZR | Ki = 55 nM | S79 | C20 H16 N6 O | c1ccc2c(c1.... |
38 | 4Q4O | Kd = 34.3 nM | 2YM | C16 H21 N7 O | c1c2c(cc3c.... |
39 | 3S1G | Ki = 6500 nM | ITE | C10 H9 N5 O | CNc1[nH]c2.... |
40 | 4PUM | Kd = 188.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
41 | 1S38 | Ki = 7 uM | MAQ | C9 H9 N3 O | Cc1cccc2c1.... |
42 | 1Q65 | Ki = 3.5 uM | BHB | C13 H19 N5 O S | CN(C)CCSCc.... |
43 | 3EOS | Ki = 4 nM | PK2 | C19 H27 N7 O | CNc1[nH]c2.... |
44 | 1F3E | Ki = 0.2 uM | DPZ | C8 H8 N4 O2 | c1c(cc(c2c.... |
45 | 1Y5V | Ki = 1 uM | NE8 | C17 H15 N5 O | c1ccc(cc1).... |
46 | 1OZQ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
47 | 4PUJ | Kd = 35 nM | CKR | C15 H19 N7 O2 | c1c2c(cc3c.... |
48 | 2BBF | Ki = 7.9 uM | 344 | C9 H7 N5 O | c1c2c(cc3c.... |
49 | 6FPU | Kd = 321 nM | E48 | C21 H26 N6 O6 | CC1(O[C@@H.... |
50 | 1S39 | Ki = 20 nM | AQO | C8 H7 N3 O | c1ccc2c(c1.... |
51 | 3TLL | Ki = 40830 nM | 62D | C12 H14 N6 O | CCNC1=Nc2c.... |
52 | 4PUK | Kd = 52.4 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
53 | 2PWV | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
54 | 3GC5 | Ki = 55 nM | 2MQ | C12 H15 N7 O | CNc1[nH]c2.... |
55 | 3GE7 | Ki = 2 nM | AFQ | C18 H25 N7 O | CNc1[nH]c2.... |
56 | 4Q4R | Kd = 369.2 nM | SQO | C15 H18 N6 O2 | c1c2c(cc3c.... |
57 | 1Q4W | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
58 | 6H42 | - | GGL | C5 H9 N O4 | C(CC(=O)O).... |
59 | 6H45 | - | QEI | C12 H15 N5 O3 | c1c(c2c([n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0RB | 0.9240 |
2 | JP3 | 0.9177 |
3 | 2JP | 0.9089 |
4 | OT4 | 0.9056 |
5 | 10H | 0.9055 |
6 | 6F3 | 0.9035 |
7 | ZW2 | 0.9033 |
8 | MT6 | 0.9032 |
9 | CKR | 0.9020 |
10 | 9OL | 0.9015 |
11 | T21 | 0.9009 |
12 | GVJ | 0.8992 |
13 | PB2 | 0.8979 |
14 | M05 | 0.8961 |
15 | PQD | 0.8958 |
16 | 1CE | 0.8941 |
17 | 3RC | 0.8933 |
18 | 5MX | 0.8929 |
19 | ADL | 0.8907 |
20 | BTO | 0.8905 |
21 | 6FX | 0.8886 |
22 | QAD | 0.8873 |
23 | 576 | 0.8868 |
24 | 246 | 0.8849 |
25 | QID | 0.8846 |
26 | YC8 | 0.8808 |
27 | 1V6 | 0.8804 |
28 | 35K | 0.8792 |
29 | BZH | 0.8789 |
30 | ROG | 0.8778 |
31 | GJW | 0.8769 |
32 | 4KN | 0.8764 |
33 | GAJ | 0.8760 |
34 | 87F | 0.8756 |
35 | K3T | 0.8743 |
36 | 9L5 | 0.8732 |
37 | WMM | 0.8729 |
38 | 1YW | 0.8721 |
39 | M62 | 0.8713 |
40 | OYQ | 0.8703 |
41 | 88S | 0.8693 |
42 | 5R9 | 0.8690 |
43 | C17 | 0.8686 |
44 | ENY | 0.8683 |
45 | F41 | 0.8676 |
46 | QTK | 0.8672 |
47 | HH2 | 0.8666 |
48 | BDE | 0.8656 |
49 | F7L | 0.8653 |
50 | 0HD | 0.8636 |
51 | K97 | 0.8621 |
52 | 5UM | 0.8612 |
53 | M04 | 0.8611 |
54 | 100 | 0.8603 |
55 | KU1 | 0.8588 |
56 | Q19 | 0.8573 |
57 | BXS | 0.8560 |
58 | 4HG | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 3ge7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ge7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |