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- Structure Biounit | Ligand Information
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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 2 families. | |||||
1 | 6MA8 | Kd = 2650 uM | PMF | C7 H7 F O2 S | c1ccc(cc1).... |
2 | 4D6Z | - | PK9 | C17 H27 N3 O3 | CC(C)(C)OC.... |
3 | 5VCE | - | RIT | C37 H48 N6 O5 S2 | CC(C)c1nc(.... |
4 | 3UA1 | Kd = 0.37 uM | 08Y | C32 H40 Br N5 O5 | CC(C)C[C@H.... |
5 | 6DAB | Kd = 0.042 uM | G0V | C30 H37 N3 O3 S | CC(C)(C)OC.... |
6 | 6UNG | ic50 = 0.055 uM | QEP | C33 H38 N4 O3 S | CC(C)(C)OC.... |
7 | 6MA6 | Kd = 2.4 uM | MYT | C14 H14 N2 O | CC(C)(c1cc.... |
8 | 6OOB | - | MWS | C21 H24 O6 | C/C(=C/COc.... |
9 | 6DAJ | Kd = 0.055 uM | FZV | C30 H37 N3 O3 S | CC(C)(C)OC.... |
10 | 4K9T | ic50 = 15 uM | 1RD | C23 H36 N6 O4 S2 | CC(C)c1nc(.... |
11 | 4K9W | ic50 = 2.8 uM | 7AW | C33 H48 N6 O4 S2 | CCC[C@@H](.... |
12 | 6DA5 | Kd = 0.07 uM | G1J | C29 H35 N3 O3 S | CC(C)(C)OC.... |
13 | 6OO9 | - | MWV | C29 H38 F N3 O3 | CC(C)[C@H].... |
14 | 5A1R | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
15 | 6MA7 | Kd = 17 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
16 | 5A1P | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
17 | 6DA3 | Kd = 0.063 uM | G0D | C29 H35 N3 O3 S | CC(C)(C)OC.... |
18 | 3NXU | - | RIT | C37 H48 N6 O5 S2 | CC(C)c1nc(.... |
19 | 4D75 | Kd = 105 uM | PK9 | C17 H27 N3 O3 | CC(C)(C)OC.... |
20 | 6DAA | Kd = 0.042 uM | G0M | C29 H35 N3 O3 S | CC(C)(C)OC.... |
21 | 5VCG | - | 08Y | C32 H40 Br N5 O5 | CC(C)C[C@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6MA8 | Kd = 2650 uM | PMF | C7 H7 F O2 S | c1ccc(cc1).... |
2 | 4D6Z | - | PK9 | C17 H27 N3 O3 | CC(C)(C)OC.... |
3 | 5VCE | - | RIT | C37 H48 N6 O5 S2 | CC(C)c1nc(.... |
4 | 3UA1 | Kd = 0.37 uM | 08Y | C32 H40 Br N5 O5 | CC(C)C[C@H.... |
5 | 6DAB | Kd = 0.042 uM | G0V | C30 H37 N3 O3 S | CC(C)(C)OC.... |
6 | 6UNG | ic50 = 0.055 uM | QEP | C33 H38 N4 O3 S | CC(C)(C)OC.... |
7 | 6MA6 | Kd = 2.4 uM | MYT | C14 H14 N2 O | CC(C)(c1cc.... |
8 | 6OOB | - | MWS | C21 H24 O6 | C/C(=C/COc.... |
9 | 6DAJ | Kd = 0.055 uM | FZV | C30 H37 N3 O3 S | CC(C)(C)OC.... |
10 | 4K9T | ic50 = 15 uM | 1RD | C23 H36 N6 O4 S2 | CC(C)c1nc(.... |
11 | 4K9W | ic50 = 2.8 uM | 7AW | C33 H48 N6 O4 S2 | CCC[C@@H](.... |
12 | 6DA5 | Kd = 0.07 uM | G1J | C29 H35 N3 O3 S | CC(C)(C)OC.... |
13 | 6OO9 | - | MWV | C29 H38 F N3 O3 | CC(C)[C@H].... |
14 | 5A1R | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
15 | 6MA7 | Kd = 17 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
16 | 5A1P | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
17 | 6DA3 | Kd = 0.063 uM | G0D | C29 H35 N3 O3 S | CC(C)(C)OC.... |
18 | 3NXU | - | RIT | C37 H48 N6 O5 S2 | CC(C)c1nc(.... |
19 | 4D75 | Kd = 105 uM | PK9 | C17 H27 N3 O3 | CC(C)(C)OC.... |
20 | 6DAA | Kd = 0.042 uM | G0M | C29 H35 N3 O3 S | CC(C)(C)OC.... |
21 | 5VCG | - | 08Y | C32 H40 Br N5 O5 | CC(C)C[C@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MYT | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SFY | 0.9310 |
2 | YTZ | 0.9236 |
3 | HS7 | 0.9131 |
4 | L12 | 0.9071 |
5 | 5TO | 0.9066 |
6 | B00 | 0.9015 |
7 | GG8 | 0.9002 |
8 | C8Z | 0.8994 |
9 | JF5 | 0.8978 |
10 | VJP | 0.8951 |
11 | 1OH | 0.8928 |
12 | SYJ | 0.8899 |
13 | BZM | 0.8887 |
14 | M5B | 0.8886 |
15 | 2OH | 0.8879 |
16 | HS6 | 0.8873 |
17 | 2E5 | 0.8860 |
18 | 0UT | 0.8857 |
19 | INF | 0.8832 |
20 | 1U7 | 0.8826 |
21 | PHQ DAL | 0.8803 |
22 | DI9 | 0.8799 |
23 | TPM | 0.8794 |
24 | 27N | 0.8772 |
25 | DY8 | 0.8734 |
26 | 87L | 0.8729 |
27 | C9B | 0.8723 |
28 | M2C | 0.8721 |
29 | IZN | 0.8720 |
30 | AVO | 0.8718 |
31 | NBB | 0.8718 |
32 | 536 | 0.8716 |
33 | H3W | 0.8715 |
34 | TRP | 0.8698 |
35 | 4Z0 | 0.8697 |
36 | PTB | 0.8695 |
37 | VJJ | 0.8677 |
38 | 2P3 | 0.8671 |
39 | 9UL | 0.8670 |
40 | H7S | 0.8668 |
41 | 5O5 | 0.8667 |
42 | 11X | 0.8665 |
43 | CW6 | 0.8665 |
44 | KDO | 0.8664 |
45 | BZQ | 0.8659 |
46 | HPK | 0.8644 |
47 | 6WS | 0.8643 |
48 | YIH | 0.8638 |
49 | 0OM | 0.8625 |
50 | 08D | 0.8625 |
51 | EYM | 0.8618 |
52 | 7ZC | 0.8617 |
53 | EYA | 0.8612 |
54 | 2L1 | 0.8593 |
55 | 5F1 | 0.8584 |
56 | J4K | 0.8581 |
57 | 6J5 | 0.8578 |
58 | 6C4 | 0.8556 |
59 | 531 | 0.8551 |
60 | 3AK | 0.8549 |
61 | 0QR | 0.8546 |
62 | ADN | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 6daa.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |