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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 1331 families. | |||||
1 | 4KBS | - | PX2 | C27 H52 O8 P | CCCCCCCCCC.... |
2 | 4K85 | - | 1PZ | C30 H60 N O6 P | CCCCCCCCCC.... |
3 | 4K80 | - | 1PW | C20 H40 N O6 P | CCCCCCCCCC.... |
4 | 4K84 | - | 1PX | C34 H68 N O6 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4KBS | - | PX2 | C27 H52 O8 P | CCCCCCCCCC.... |
2 | 4K85 | - | 1PZ | C30 H60 N O6 P | CCCCCCCCCC.... |
3 | 4K80 | - | 1PW | C20 H40 N O6 P | CCCCCCCCCC.... |
4 | 4K84 | - | 1PX | C34 H68 N O6 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PX8 | 1 | 1 |
2 | PX2 | 1 | 1 |
3 | PA8 | 0.980392 | 1 |
4 | LPP | 0.803571 | 0.930233 |
5 | F57 | 0.803571 | 0.930233 |
6 | 3PH | 0.803571 | 0.930233 |
7 | 6PH | 0.803571 | 0.930233 |
8 | 7PH | 0.803571 | 0.930233 |
9 | 7P9 | 0.789474 | 0.930233 |
10 | CD4 | 0.741935 | 0.930233 |
11 | PD7 | 0.736842 | 0.930233 |
12 | TGL | 0.730769 | 0.707317 |
13 | CDL | 0.730159 | 0.928571 |
14 | PEH | 0.703125 | 0.769231 |
15 | 8PE | 0.703125 | 0.769231 |
16 | PTY | 0.703125 | 0.769231 |
17 | PEF | 0.703125 | 0.769231 |
18 | PEV | 0.703125 | 0.769231 |
19 | 3PE | 0.703125 | 0.769231 |
20 | 9PE | 0.692308 | 0.769231 |
21 | PEE | 0.692308 | 0.788462 |
22 | PGT | 0.692308 | 0.888889 |
23 | D21 | 0.692308 | 0.909091 |
24 | LHG | 0.692308 | 0.888889 |
25 | PG8 | 0.692308 | 0.888889 |
26 | M7U | 0.692308 | 0.930233 |
27 | 44E | 0.672414 | 0.930233 |
28 | PC7 | 0.671642 | 0.773585 |
29 | PX4 | 0.671642 | 0.773585 |
30 | HGP | 0.671642 | 0.773585 |
31 | LIO | 0.671642 | 0.773585 |
32 | 6PL | 0.671642 | 0.773585 |
33 | HGX | 0.671642 | 0.773585 |
34 | P5S | 0.671642 | 0.784314 |
35 | PLD | 0.671642 | 0.773585 |
36 | PC1 | 0.661765 | 0.730769 |
37 | PCF | 0.661765 | 0.730769 |
38 | MC3 | 0.661765 | 0.730769 |
39 | CN3 | 0.657143 | 0.930233 |
40 | 8SP | 0.656716 | 0.784314 |
41 | PII | 0.652174 | 0.816327 |
42 | AGA | 0.647059 | 0.888889 |
43 | CN6 | 0.628571 | 0.930233 |
44 | 1EM | 0.62069 | 0.714286 |
45 | DDR | 0.62069 | 0.714286 |
46 | L2C | 0.62069 | 0.714286 |
47 | DGA | 0.62069 | 0.714286 |
48 | FAW | 0.62069 | 0.714286 |
49 | XP5 | 0.617647 | 0.773585 |
50 | L9Q | 0.616438 | 0.754717 |
51 | 6OU | 0.616438 | 0.754717 |
52 | LOP | 0.616438 | 0.754717 |
53 | PIF | 0.611111 | 0.8 |
54 | RXY | 0.608108 | 0.754717 |
55 | PGW | 0.608108 | 0.869565 |
56 | D3D | 0.608108 | 0.869565 |
57 | PGV | 0.6 | 0.869565 |
58 | PIZ | 0.6 | 0.816327 |
59 | DR9 | 0.6 | 0.869565 |
60 | PCW | 0.592105 | 0.759259 |
61 | P6L | 0.592105 | 0.869565 |
62 | PGK | 0.592105 | 0.833333 |
63 | PIE | 0.589744 | 0.78 |
64 | P3A | 0.589744 | 0.869565 |
65 | 52N | 0.586667 | 0.8 |
66 | IP9 | 0.586667 | 0.816327 |
67 | PIO | 0.586667 | 0.8 |
68 | P50 | 0.584416 | 0.784314 |
69 | POV | 0.584416 | 0.716981 |
70 | L9R | 0.584416 | 0.716981 |
71 | LBN | 0.584416 | 0.716981 |
72 | OZ2 | 0.584416 | 0.869565 |
73 | 44G | 0.58209 | 0.888889 |
74 | ZPE | 0.578947 | 0.754717 |
75 | PCK | 0.576923 | 0.732143 |
76 | B7N | 0.576923 | 0.8 |
77 | DGG | 0.56962 | 0.833333 |
78 | HXG | 0.565217 | 0.773585 |
79 | PSF | 0.565217 | 0.784314 |
80 | GP7 | 0.555556 | 0.754717 |
81 | LBR | 0.553846 | 0.659091 |
82 | PEK | 0.55 | 0.754717 |
83 | PSC | 0.542169 | 0.759259 |
84 | NKN | 0.52381 | 0.886364 |
85 | NKO | 0.52381 | 0.886364 |
86 | 2JT | 0.517857 | 0.636364 |
87 | G2A | 0.517857 | 0.636364 |
88 | PDK | 0.516854 | 0.666667 |
89 | DLP | 0.511905 | 0.716981 |
90 | T7X | 0.511628 | 0.8 |
91 | LPX | 0.5 | 0.75 |
92 | PGM | 0.492754 | 0.866667 |
93 | EKG | 0.483333 | 0.622222 |
94 | GYM | 0.483333 | 0.622222 |
95 | 1QW | 0.483333 | 0.622222 |
96 | BQ9 | 0.48 | 0.697674 |
97 | LPC | 0.479452 | 0.745455 |
98 | LP3 | 0.479452 | 0.745455 |
99 | K6G | 0.479452 | 0.745455 |
100 | LAP | 0.479452 | 0.745455 |
101 | EPH | 0.461538 | 0.754717 |
102 | 3PC | 0.460526 | 0.711538 |
103 | NKP | 0.458333 | 0.866667 |
104 | DAO FTT | 0.439394 | 0.609756 |
105 | CN5 | 0.434211 | 0.909091 |
106 | 42H | 0.426829 | 0.732143 |
107 | PC5 | 0.426667 | 0.642857 |
108 | 87O | 0.423729 | 0.75 |
109 | OLB | 0.42029 | 0.608696 |
110 | OLC | 0.42029 | 0.608696 |
111 | PVC | 0.42029 | 0.604167 |
112 | OCB | 0.41791 | 0.603774 |
113 | S12 | 0.414634 | 0.75 |
114 | NTK | 0.403509 | 0.634146 |
115 | MVC | 0.4 | 0.608696 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4kbs.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4kbs.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |