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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 214 families. | |||||
1 | 4MR7 | - | 2BV | C18 H28 Cl2 N O3 P | C[C@@H](c1.... |
2 | 4MQF | - | 2BQ | C9 H12 Cl N O4 S | c1cc(ccc1[.... |
3 | 4MS1 | - | 381 | C10 H22 N O2 P | C1CCC(CC1).... |
4 | 4MS4 | - | 2C0 | C10 H12 Cl N O2 | c1cc(ccc1[.... |
5 | 4MR8 | - | 2BW | C8 H20 N O4 P | CCOC(OCC)P.... |
6 | 4MS3 | - | ABU | C4 H9 N O2 | C(CC(=O)O).... |
7 | 4MR9 | - | 2BX | C8 H15 N O3 | CC1(CO[C@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4MR7 | - | 2BV | C18 H28 Cl2 N O3 P | C[C@@H](c1.... |
2 | 4MQF | - | 2BQ | C9 H12 Cl N O4 S | c1cc(ccc1[.... |
3 | 4MS1 | - | 381 | C10 H22 N O2 P | C1CCC(CC1).... |
4 | 4MS4 | - | 2C0 | C10 H12 Cl N O2 | c1cc(ccc1[.... |
5 | 4MR8 | - | 2BW | C8 H20 N O4 P | CCOC(OCC)P.... |
6 | 4MS3 | - | ABU | C4 H9 N O2 | C(CC(=O)O).... |
7 | 4MR9 | - | 2BX | C8 H15 N O3 | CC1(CO[C@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2C0 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2BQ | 0.9336 |
2 | TYR | 0.9191 |
3 | 27L | 0.9169 |
4 | E79 | 0.9089 |
5 | XDE | 0.9078 |
6 | 3CR | 0.9060 |
7 | HHH | 0.9049 |
8 | GLY LEU | 0.9025 |
9 | NQM | 0.9025 |
10 | 87L | 0.9008 |
11 | ALA GLU | 0.9008 |
12 | CCB | 0.8995 |
13 | 36M | 0.8988 |
14 | 269 | 0.8968 |
15 | 4VY | 0.8964 |
16 | ALE | 0.8962 |
17 | ALA LEU | 0.8954 |
18 | J4K | 0.8944 |
19 | F90 | 0.8943 |
20 | 0GY | 0.8941 |
21 | S0W | 0.8937 |
22 | HPP | 0.8934 |
23 | A9O | 0.8933 |
24 | YTZ | 0.8917 |
25 | QBS | 0.8907 |
26 | 3MF | 0.8902 |
27 | AHC | 0.8898 |
28 | PPT | 0.8897 |
29 | S2T | 0.8897 |
30 | DTY | 0.8884 |
31 | GVQ | 0.8870 |
32 | 4A5 | 0.8862 |
33 | I2E | 0.8843 |
34 | HXY | 0.8840 |
35 | CIT | 0.8837 |
36 | M74 | 0.8826 |
37 | DXG | 0.8820 |
38 | M72 | 0.8817 |
39 | 2UB | 0.8816 |
40 | TYE | 0.8812 |
41 | 791 | 0.8810 |
42 | B09 | 0.8807 |
43 | 1FF | 0.8803 |
44 | GLR | 0.8799 |
45 | 61M | 0.8797 |
46 | PBA | 0.8792 |
47 | 1Z8 | 0.8778 |
48 | LVD | 0.8776 |
49 | 3VW | 0.8744 |
50 | HJ7 | 0.8733 |
51 | HS6 | 0.8725 |
52 | K3Y | 0.8724 |
53 | FLC | 0.8724 |
54 | PHI | 0.8717 |
55 | YPN | 0.8716 |
56 | HCI | 0.8696 |
57 | 4BF | 0.8686 |
58 | 2CG | 0.8683 |
59 | PFF | 0.8681 |
60 | Z79 | 0.8674 |
61 | NLG | 0.8674 |
62 | OTR | 0.8671 |
63 | 56D | 0.8659 |
64 | GAE | 0.8659 |
65 | D1Y | 0.8656 |
66 | JW8 | 0.8651 |
67 | 7QD | 0.8648 |
68 | BPW | 0.8648 |
69 | 0A1 | 0.8646 |
70 | N9J | 0.8640 |
71 | EN1 | 0.8639 |
72 | GTC | 0.8625 |
73 | 29J | 0.8622 |
74 | 8WQ | 0.8617 |
75 | YOF | 0.8614 |
76 | NZ3 | 0.8612 |
77 | DAH | 0.8611 |
78 | MCO | 0.8603 |
79 | GCO | 0.8600 |
80 | XIZ | 0.8599 |
81 | FUD | 0.8576 |
82 | NIG | 0.8570 |
83 | 4CF | 0.8565 |
84 | 7Y3 | 0.8556 |
85 | HS7 | 0.8543 |
86 | 49O | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 4ms4.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |