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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 266 families. | |||||
1 | 6OR1 | - | N27 | C30 H37 N O | CCCCCCC1=C.... |
2 | 5SYZ | - | 71W | C28 H34 O | CCCCCCC1=C.... |
3 | 4PLE | - | EPH | C39 H68 N O8 P | CCCC=CCC=C.... |
4 | 5L11 | - | RJW | C28 H34 O | CCCCCCC1=C.... |
5 | 6OQX | - | N1V | C28 H35 N O3 S | CCCCCCC1=C.... |
6 | 1YOK | - | P6L | C40 H75 O10 P | CCCCCCCCCC.... |
7 | 6VC2 | Ki = 1.2 uM | QU7 | C28 H34 O | CCCCCCC1=C.... |
8 | 3PLZ | - | 470 | C28 H35 N | CCC/C=C(CC.... |
9 | 6VIF | Ki = 38 nM | QY4 | C28 H39 N3 O2 S | CCCCCCC1=C.... |
10 | 6OQY | - | N2J | C28 H36 N2 O2 S | CCCCCCC1=C.... |
11 | 1ZDU | - | P3A | C41 H78 O15 P2 | CCCCCCCCCC.... |
12 | 1ZDT | - | PEF | C37 H74 N O8 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 6OR1 | - | N27 | C30 H37 N O | CCCCCCC1=C.... |
2 | 5SYZ | - | 71W | C28 H34 O | CCCCCCC1=C.... |
3 | 4PLE | - | EPH | C39 H68 N O8 P | CCCC=CCC=C.... |
4 | 5L11 | - | RJW | C28 H34 O | CCCCCCC1=C.... |
5 | 6OQX | - | N1V | C28 H35 N O3 S | CCCCCCC1=C.... |
6 | 1YOK | - | P6L | C40 H75 O10 P | CCCCCCCCCC.... |
7 | 6VC2 | Ki = 1.2 uM | QU7 | C28 H34 O | CCCCCCC1=C.... |
8 | 3PLZ | - | 470 | C28 H35 N | CCC/C=C(CC.... |
9 | 6VIF | Ki = 38 nM | QY4 | C28 H39 N3 O2 S | CCCCCCC1=C.... |
10 | 6OQY | - | N2J | C28 H36 N2 O2 S | CCCCCCC1=C.... |
11 | 1ZDU | - | P3A | C41 H78 O15 P2 | CCCCCCCCCC.... |
12 | 1ZDT | - | PEF | C37 H74 N O8 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EPH | 1 | 1 |
2 | GP7 | 0.847059 | 1 |
3 | 6OU | 0.752941 | 1 |
4 | LOP | 0.752941 | 1 |
5 | L9Q | 0.752941 | 1 |
6 | RXY | 0.744186 | 1 |
7 | PEK | 0.741573 | 1 |
8 | ZPE | 0.715909 | 1 |
9 | PSC | 0.673684 | 0.79661 |
10 | PEH | 0.647059 | 0.980769 |
11 | PEF | 0.647059 | 0.980769 |
12 | 3PE | 0.647059 | 0.980769 |
13 | PEV | 0.647059 | 0.980769 |
14 | PTY | 0.647059 | 0.980769 |
15 | 8PE | 0.647059 | 0.980769 |
16 | 9PE | 0.639535 | 0.980769 |
17 | PCW | 0.634409 | 0.79661 |
18 | P50 | 0.610526 | 0.924528 |
19 | PGW | 0.595745 | 0.830189 |
20 | D3D | 0.595745 | 0.830189 |
21 | DR9 | 0.589474 | 0.830189 |
22 | PGV | 0.589474 | 0.830189 |
23 | P6L | 0.583333 | 0.830189 |
24 | DLP | 0.58 | 0.728814 |
25 | OZ2 | 0.57732 | 0.830189 |
26 | D21 | 0.566667 | 0.792453 |
27 | T7X | 0.563107 | 0.711864 |
28 | B7N | 0.555556 | 0.711864 |
29 | PLD | 0.537634 | 0.779661 |
30 | 6PL | 0.537634 | 0.779661 |
31 | PC7 | 0.537634 | 0.779661 |
32 | HGP | 0.537634 | 0.779661 |
33 | HGX | 0.537634 | 0.779661 |
34 | LIO | 0.537634 | 0.779661 |
35 | PX4 | 0.537634 | 0.779661 |
36 | PEE | 0.532609 | 0.962264 |
37 | L9R | 0.53 | 0.728814 |
38 | LBN | 0.53 | 0.728814 |
39 | POV | 0.53 | 0.728814 |
40 | PIE | 0.519608 | 0.666667 |
41 | XP5 | 0.516129 | 0.779661 |
42 | CD4 | 0.51087 | 0.807692 |
43 | P5S | 0.505263 | 0.888889 |
44 | P3A | 0.504854 | 0.796296 |
45 | PGT | 0.5 | 0.811321 |
46 | LHG | 0.5 | 0.811321 |
47 | 8SP | 0.494737 | 0.888889 |
48 | HXG | 0.494624 | 0.779661 |
49 | PCK | 0.480769 | 0.741935 |
50 | CN3 | 0.47 | 0.807692 |
51 | LPP | 0.466667 | 0.773585 |
52 | 3PH | 0.466667 | 0.773585 |
53 | F57 | 0.466667 | 0.773585 |
54 | 7PH | 0.466667 | 0.773585 |
55 | 6PH | 0.466667 | 0.773585 |
56 | PII | 0.464646 | 0.694915 |
57 | PSF | 0.463158 | 0.888889 |
58 | 7P9 | 0.461538 | 0.773585 |
59 | PX8 | 0.461538 | 0.754717 |
60 | PX2 | 0.461538 | 0.754717 |
61 | 44G | 0.457447 | 0.811321 |
62 | PIZ | 0.451923 | 0.694915 |
63 | 42H | 0.45098 | 0.830508 |
64 | PA8 | 0.450549 | 0.754717 |
65 | CN6 | 0.45 | 0.807692 |
66 | BQ9 | 0.44898 | 0.615385 |
67 | PGK | 0.447619 | 0.767857 |
68 | LPX | 0.446809 | 0.961538 |
69 | PD7 | 0.444444 | 0.773585 |
70 | CDL | 0.443299 | 0.735849 |
71 | IP9 | 0.442308 | 0.694915 |
72 | PC1 | 0.44 | 0.711864 |
73 | MC3 | 0.44 | 0.711864 |
74 | PCF | 0.44 | 0.711864 |
75 | DGG | 0.435185 | 0.767857 |
76 | S12 | 0.427184 | 0.888889 |
77 | PIF | 0.427184 | 0.683333 |
78 | M7U | 0.424242 | 0.773585 |
79 | PG8 | 0.424242 | 0.777778 |
80 | 44E | 0.422222 | 0.773585 |
81 | 8ND | 0.419355 | 0.716981 |
82 | PDK | 0.418803 | 0.819672 |
83 | NKP | 0.416667 | 0.792453 |
84 | 52N | 0.415094 | 0.683333 |
85 | PIO | 0.415094 | 0.683333 |
86 | AGA | 0.401961 | 0.777778 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6vif.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3UUD | EST | 41.6327 |
2 | 4TV1 | 36M | 41.6327 |
3 | 4MGD | 27N | 41.6327 |
4 | 5DXE | EST | 41.6327 |
5 | 5DX3 | EST | 41.6327 |
6 | 5DXG | EST | 41.6327 |
7 | 3UUD | EST | 41.6327 |
8 | 3UUD | EST | 41.6327 |
9 | 4MGD | 27N | 41.6327 |
10 | 5DXE | EST | 41.6327 |
11 | 5DX3 | EST | 41.6327 |
12 | 5DXG | EST | 41.6327 |
13 | 4TV1 | 36M | 41.6327 |
14 | 4MGA | 27L | 41.6327 |
15 | 4MGA | 27L | 41.6327 |
16 | 3UU7 | 2OH | 41.6327 |
17 | 3UU7 | 2OH | 41.6327 |
18 | 3OLL | EST | 48.3333 |