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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 41 families. | |||||
1 | 3BFF | - | FPM | C12 H15 N O5 S | C[C@H]([C@.... |
2 | 6CYU | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
3 | 5TWE | - | CAZ | C17 H19 N5 O7 S2 | CC(C)(C(=O.... |
4 | 4XXR | - | JSC | C22 H17 N2 O6 Ru S | CC1([C@@H].... |
5 | 6MIA | - | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
6 | 3G31 | Ki = 1.3 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
7 | 3G34 | Ki = 1.1 mM | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
8 | 3HLW | - | CE3 | C16 H17 N5 O7 S2 | CC(=O)OCC1.... |
9 | 3G30 | Ki = 3.1 mM | G30 | C11 H9 F2 N O3 | c1cc(c(cc1.... |
10 | 6CYQ | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
11 | 3HVF | - | PNK | C16 H20 N2 O5 S | CC1([C@@H].... |
12 | 3G32 | Ki = 0.194 mM | 3G3 | C11 H9 N5 O2 | c1ccc2c(c1.... |
13 | 3G2Z | Ki = 4.4 mM | GZ2 | C7 H9 N5 O | C1CC(=CC(=.... |
14 | 6BU3 | Ki = 0.28 uM | 3GK | C16 H10 F3 N7 O | c1cc(cc(c1.... |
15 | 3G35 | Ki = 0.021 mM | F13 | C14 H10 F N5 O | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 5EOE | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 5EOO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 6XJ8 | Kd = 220 uM | 8YF | C12 H19 N3 O5 S | [H]/N=C/NC.... |
4 | 6MEY | Ki = 479 uM | O5E | C15 H14 N6 O | c1ccc(cc1).... |
5 | 6D15 | Ki = 32.9 uM | TWB | C12 H13 O5 P | Cc1cc2c(cc.... |
6 | 6D18 | Ki = 1.4 uM | GTV | C12 H13 O5 P | Cc1cc(c2c(.... |
7 | 6D17 | Ki = 15.3 uM | VKE | C11 H9 O7 P | c1c2c(cc3c.... |
8 | 6XD7 | - | ZZ7 | C16 H21 N3 O5 S | CC1([C@@H].... |
9 | 6V1J | - | QNA | C10 H9 B F O5 | [B-]1([C@@.... |
10 | 6M7I | Ki = 386 uM | J84 | C10 H7 Cl2 N7 | c1cc(c(cc1.... |
11 | 5UJ3 | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
12 | 6D16 | Ki = 8.4 uM | FUJ | C11 H11 O6 P | COc1ccc2c(.... |
13 | 6D19 | Ki = 0.246 uM | YKG | C11 H10 Br O5 P | Cc1cc2c(c(.... |
14 | 6MLL | Ki = 239 uM | N1G | C17 H13 N7 O | c1ccc(cc1).... |
15 | 5UJ4 | - | SFR | C12 H17 N O6 S | C[C@H]([C@.... |
16 | 6MNP | - | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
17 | 3BFF | - | FPM | C12 H15 N O5 S | C[C@H]([C@.... |
18 | 6B68 | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
19 | 6B6F | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
20 | 6B69 | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
21 | 6B6A | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
22 | 4QB8 | - | 1TE | C16 H21 N3 O4 S2 | C[C@@H]1[C.... |
23 | 6B6C | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
24 | 6B6D | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
25 | 3NY4 | - | SMX | C18 H18 N6 O5 S2 | Cn1c(nnn1).... |
26 | 6B6E | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
27 | 6CYU | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
28 | 5TWE | - | CAZ | C17 H19 N5 O7 S2 | CC(C)(C(=O.... |
29 | 4XXR | - | JSC | C22 H17 N2 O6 Ru S | CC1([C@@H].... |
30 | 6MIA | - | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
31 | 3G31 | Ki = 1.3 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
32 | 3G34 | Ki = 1.1 mM | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
33 | 3HLW | - | CE3 | C16 H17 N5 O7 S2 | CC(=O)OCC1.... |
34 | 3G30 | Ki = 3.1 mM | G30 | C11 H9 F2 N O3 | c1cc(c(cc1.... |
35 | 6CYQ | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
36 | 3HVF | - | PNK | C16 H20 N2 O5 S | CC1([C@@H].... |
37 | 3G32 | Ki = 0.194 mM | 3G3 | C11 H9 N5 O2 | c1ccc2c(c1.... |
38 | 3G2Z | Ki = 4.4 mM | GZ2 | C7 H9 N5 O | C1CC(=CC(=.... |
39 | 6BU3 | Ki = 0.28 uM | 3GK | C16 H10 F3 N7 O | c1cc(cc(c1.... |
40 | 3G35 | Ki = 0.021 mM | F13 | C14 H10 F N5 O | c1cc(cc(c1.... |
41 | 5FQJ | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
42 | 6TY6 | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
43 | 5FQK | Kd = 15.8 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
44 | 5NE2 | Ki = 84 pM | DGL | C5 H9 N O4 | C(CC(=O)O).... |
45 | 6QW7 | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
46 | 2ZD8 | - | MER | C17 H27 N3 O5 S | C[C@@H]1[C.... |
47 | 1VM1 | - | TAZ | C10 H12 N4 O5 S | C[C@@]1([C.... |
48 | 3MKE | - | CZ6 | C16 H25 B N4 O6 S | B1(O[C@H](.... |
49 | 4FH2 | - | 0RN | C8 H11 N O5 S | CC1([C@@H].... |
50 | 3SOI | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
51 | 2Y91 | - | 98J | C5 H8 O4 | C(CO)C(=O).... |
52 | 1PZP | Ki = 480 uM | FTA | C16 H13 N7 | c1ccc(cc1).... |
53 | 1PZO | Ki = 460 uM | CBT | C15 H13 Cl2 N5 | c1cc(ccc1C.... |
54 | 1NY0 | - | NBF | C14 H16 B N O4 | B(CNC(=O)c.... |
55 | 1NXY | - | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
56 | 3P98 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
57 | 1W7F | - | ICT | C6 H8 O7 | C([C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S8A | 0.9030 |
2 | NAG | 0.8991 |
3 | SIZ | 0.8947 |
4 | 9KZ | 0.8931 |
5 | 4RU | 0.8888 |
6 | KMY | 0.8884 |
7 | ZPF | 0.8876 |
8 | GJP | 0.8868 |
9 | ST2 | 0.8862 |
10 | NGA | 0.8845 |
11 | QMR | 0.8817 |
12 | S0G | 0.8806 |
13 | NDG | 0.8800 |
14 | LTM | 0.8788 |
15 | 3N1 | 0.8787 |
16 | A2G | 0.8785 |
17 | 535 | 0.8783 |
18 | 2C2 | 0.8782 |
19 | 0J4 | 0.8782 |
20 | 46M | 0.8779 |
21 | KPQ | 0.8772 |
22 | 3XR | 0.8767 |
23 | S7J | 0.8753 |
24 | 27B | 0.8750 |
25 | 4NP | 0.8745 |
26 | GDL | 0.8740 |
27 | IPD | 0.8738 |
28 | EYV | 0.8732 |
29 | TRP | 0.8728 |
30 | 78U | 0.8728 |
31 | BM3 | 0.8719 |
32 | CEG | 0.8716 |
33 | 2L3 | 0.8708 |
34 | QBP | 0.8697 |
35 | FBF | 0.8697 |
36 | ALX | 0.8695 |
37 | 39U | 0.8691 |
38 | PA5 | 0.8686 |
39 | P4F | 0.8679 |
40 | Z13 | 0.8677 |
41 | DJN | 0.8672 |
42 | CIT | 0.8671 |
43 | PMP | 0.8660 |
44 | 9FL | 0.8656 |
45 | 6FB | 0.8653 |
46 | 2K8 | 0.8652 |
47 | 4I8 | 0.8651 |
48 | 0J5 | 0.8648 |
49 | BGN | 0.8647 |
50 | E01 | 0.8642 |
51 | 3AE | 0.8640 |
52 | OCZ | 0.8633 |
53 | 9BF | 0.8631 |
54 | 36E | 0.8631 |
55 | LR5 | 0.8628 |
56 | BIO | 0.8623 |
57 | F34 | 0.8620 |
58 | AAN | 0.8620 |
59 | KYA | 0.8617 |
60 | 2FX | 0.8615 |
61 | 8VR | 0.8613 |
62 | 12T | 0.8611 |
63 | DNA | 0.8604 |
64 | H5B | 0.8603 |
65 | 54X | 0.8602 |
66 | APS | 0.8597 |
67 | 1WC | 0.8593 |
68 | 54Z | 0.8590 |
69 | 4NS | 0.8590 |
70 | HBO | 0.8589 |
71 | BHQ | 0.8580 |
72 | H4B | 0.8579 |
73 | 3R4 | 0.8578 |
74 | 4I5 | 0.8575 |
75 | 289 | 0.8573 |
76 | CTE | 0.8568 |
77 | N91 | 0.8567 |
78 | 0JD | 0.8565 |
79 | CH9 | 0.8562 |
80 | 68A | 0.8554 |
81 | CTN | 0.8544 |
82 | 3VX | 0.8541 |
83 | ST1 | 0.8540 |
84 | 5VL | 0.8540 |
85 | JVN | 0.8539 |
86 | 657 | 0.8538 |
87 | 091 | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 6bu3.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6bu3.bio2) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6bu3.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6bu3.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |