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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 | Similarity coefficient |
---|---|---|
1 | DHT | 0.9621 |
2 | PDN | 0.9596 |
3 | HCY | 0.9594 |
4 | AOM | 0.9540 |
5 | 5SD | 0.9519 |
6 | AND | 0.9513 |
7 | AOX | 0.9499 |
8 | AS4 | 0.9488 |
9 | ANB | 0.9467 |
10 | TUA | 0.9445 |
11 | ZK5 | 0.9409 |
12 | AOI | 0.9399 |
13 | BDT | 0.9382 |
14 | 6VW | 0.9353 |
15 | ANO | 0.9331 |
16 | TUV | 0.9321 |
17 | DEX | 0.9283 |
18 | R18 | 0.9248 |
19 | ESR | 0.9225 |
20 | NQ8 | 0.9195 |
21 | AON | 0.9178 |
22 | 17M | 0.9168 |
23 | EST | 0.9155 |
24 | NDR | 0.9144 |
25 | 30Q | 0.9057 |
26 | CUE | 0.9047 |
27 | EQU | 0.9045 |
28 | AO | 0.9032 |
29 | 801 | 0.8989 |
30 | 120 | 0.8988 |
31 | CR4 | 0.8983 |
32 | MBT | 0.8980 |
33 | BMZ | 0.8962 |
34 | J3Z | 0.8941 |
35 | SAU | 0.8928 |
36 | 124 | 0.8923 |
37 | ESZ | 0.8905 |
38 | NOG | 0.8868 |
39 | 17H | 0.8867 |
40 | FIT | 0.8866 |
41 | GEN | 0.8859 |
42 | 802 | 0.8841 |
43 | ESL | 0.8838 |
44 | 1N7 | 0.8830 |
45 | END | 0.8825 |
46 | 1DR | 0.8812 |
47 | EES | 0.8794 |
48 | ECS | 0.8782 |
49 | 789 | 0.8780 |
50 | 18E | 0.8776 |
51 | 272 | 0.8771 |
52 | BBP | 0.8764 |
53 | 397 | 0.8751 |
54 | 797 | 0.8749 |
55 | A05 | 0.8745 |
56 | SDN | 0.8741 |
57 | BER | 0.8741 |
58 | AQN | 0.8736 |
59 | 609 | 0.8707 |
60 | 122 | 0.8704 |
61 | A63 | 0.8683 |
62 | BRZ | 0.8681 |
63 | 3WF | 0.8681 |
64 | 6ZE | 0.8668 |
65 | 1UR | 0.8666 |
66 | 5OR | 0.8663 |
67 | 517 | 0.8658 |
68 | 97K | 0.8654 |
69 | 27F | 0.8653 |
70 | 79X | 0.8644 |
71 | TUS | 0.8640 |
72 | Q0K | 0.8638 |
73 | KMP | 0.8636 |
74 | 907 | 0.8631 |
75 | 1UT | 0.8631 |
76 | 08C | 0.8630 |
77 | 334 | 0.8628 |
78 | 20D | 0.8627 |
79 | 1V0 | 0.8625 |
80 | A64 | 0.8625 |
81 | SLX | 0.8625 |
82 | 1UZ | 0.8621 |
83 | ADL | 0.8615 |
84 | BRY | 0.8613 |
85 | 47X | 0.8607 |
86 | ESM | 0.8607 |
87 | 29F | 0.8601 |
88 | IXM | 0.8598 |
89 | WG8 | 0.8591 |
90 | DX7 | 0.8576 |
91 | SNL | 0.8569 |
92 | 6BK | 0.8561 |
93 | 7EL | 0.8561 |
94 | CA4 | 0.8560 |
95 | 123 | 0.8552 |
96 | 2V4 | 0.8545 |
97 | 7G0 | 0.8539 |
98 | RHN | 0.8539 |
99 | 6WL | 0.8538 |
100 | 1V1 | 0.8527 |
101 | SZ5 | 0.8526 |
102 | OAL | 0.8518 |
103 | 7G2 | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 6daa.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |