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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 197 families. | |||||
1 | 2B5S | - | HP6 | C7 H16 | CCCCCCC |
2 | 2ALG | - | HP6 | C7 H16 | CCCCCCC |
3 | 1UVB | - | PAM | C16 H30 O2 | CCCCCCC=C/.... |
4 | 1UVA | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
5 | 1UVC | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
6 | 1FK1 | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
7 | 1FK2 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
8 | 1FK3 | - | PAM | C16 H30 O2 | CCCCCCC=C/.... |
9 | 1MZM | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
10 | 1FK4 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
11 | 1FK0 | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
12 | 1FK7 | - | RCL | C18 H34 O3 | CCCCCC[C@H.... |
13 | 1FK5 | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
14 | 1FK6 | - | LNL | C18 H30 O2 | CCC=CCC=CC.... |
15 | 1BWO | - | LPC | C22 H47 N O7 P | CCCCCCCCCC.... |
16 | 1MID | - | LAP | C20 H43 N O7 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 2B5S | - | HP6 | C7 H16 | CCCCCCC |
2 | 2ALG | - | HP6 | C7 H16 | CCCCCCC |
3 | 1UVB | - | PAM | C16 H30 O2 | CCCCCCC=C/.... |
4 | 1UVA | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
5 | 1UVC | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
6 | 1FK1 | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
7 | 1FK2 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
8 | 1FK3 | - | PAM | C16 H30 O2 | CCCCCCC=C/.... |
9 | 1MZM | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
10 | 1FK4 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
11 | 1FK0 | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
12 | 1FK7 | - | RCL | C18 H34 O3 | CCCCCC[C@H.... |
13 | 1FK5 | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
14 | 1FK6 | - | LNL | C18 H30 O2 | CCC=CCC=CC.... |
15 | 6IWP | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
16 | 5TVI | - | O8N | C28 H58 O | CCCCCCCCCC.... |
17 | 6IWN | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
18 | 6IWO | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
19 | 1BWO | - | LPC | C22 H47 N O7 P | CCCCCCCCCC.... |
20 | 1MID | - | LAP | C20 H43 N O7 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LAP | 1 | 1 |
2 | K6G | 1 | 1 |
3 | LPC | 1 | 1 |
4 | LP3 | 1 | 1 |
5 | 42H | 0.863636 | 0.982143 |
6 | LPX | 0.790323 | 0.810345 |
7 | HGP | 0.685714 | 0.963636 |
8 | 6PL | 0.685714 | 0.963636 |
9 | HGX | 0.685714 | 0.963636 |
10 | LIO | 0.685714 | 0.963636 |
11 | PC7 | 0.685714 | 0.963636 |
12 | PX4 | 0.685714 | 0.963636 |
13 | PLD | 0.685714 | 0.963636 |
14 | NKO | 0.645161 | 0.732143 |
15 | NKN | 0.645161 | 0.732143 |
16 | XP5 | 0.633803 | 0.963636 |
17 | PCW | 0.607595 | 0.946429 |
18 | LPE | 0.602941 | 0.945455 |
19 | PCK | 0.592593 | 0.913793 |
20 | S12 | 0.584416 | 0.75 |
21 | CD4 | 0.583333 | 0.763636 |
22 | HXG | 0.583333 | 0.963636 |
23 | CN5 | 0.575342 | 0.781818 |
24 | NKP | 0.56338 | 0.719298 |
25 | PSC | 0.55814 | 0.946429 |
26 | PGM | 0.557143 | 0.719298 |
27 | CN6 | 0.538462 | 0.763636 |
28 | PEF | 0.533333 | 0.827586 |
29 | PTY | 0.533333 | 0.827586 |
30 | 3PE | 0.533333 | 0.827586 |
31 | PEV | 0.533333 | 0.827586 |
32 | PEH | 0.533333 | 0.827586 |
33 | 8PE | 0.533333 | 0.827586 |
34 | LHG | 0.526316 | 0.736842 |
35 | 9PE | 0.526316 | 0.827586 |
36 | PGT | 0.526316 | 0.736842 |
37 | PCF | 0.525641 | 0.890909 |
38 | PC1 | 0.525641 | 0.890909 |
39 | MC3 | 0.525641 | 0.890909 |
40 | CN3 | 0.525 | 0.763636 |
41 | PQJ | 0.507937 | 0.854545 |
42 | PEE | 0.506494 | 0.844828 |
43 | OPC | 0.494253 | 0.929825 |
44 | SPU | 0.487179 | 0.836066 |
45 | CH5 | 0.483871 | 0.824561 |
46 | PX8 | 0.479452 | 0.745455 |
47 | PX2 | 0.479452 | 0.745455 |
48 | 3XU | 0.477273 | 0.84127 |
49 | 6OU | 0.47619 | 0.813559 |
50 | LOP | 0.47619 | 0.813559 |
51 | L9Q | 0.47619 | 0.813559 |
52 | P5S | 0.475 | 0.779661 |
53 | CDL | 0.474359 | 0.727273 |
54 | POV | 0.471264 | 0.875 |
55 | LBN | 0.471264 | 0.875 |
56 | L9R | 0.471264 | 0.875 |
57 | PGW | 0.470588 | 0.724138 |
58 | RXY | 0.470588 | 0.813559 |
59 | D3D | 0.470588 | 0.724138 |
60 | 6PH | 0.465753 | 0.732143 |
61 | LPP | 0.465753 | 0.732143 |
62 | F57 | 0.465753 | 0.732143 |
63 | PA8 | 0.465753 | 0.745455 |
64 | 7PH | 0.465753 | 0.732143 |
65 | 3PH | 0.465753 | 0.732143 |
66 | DR9 | 0.465116 | 0.724138 |
67 | ZPE | 0.465116 | 0.813559 |
68 | PGV | 0.465116 | 0.724138 |
69 | 8SP | 0.4625 | 0.779661 |
70 | PGK | 0.45977 | 0.7 |
71 | P6L | 0.45977 | 0.724138 |
72 | 7P9 | 0.459459 | 0.732143 |
73 | OZ2 | 0.454545 | 0.724138 |
74 | 3PC | 0.444444 | 0.872727 |
75 | PEK | 0.444444 | 0.813559 |
76 | DGG | 0.444444 | 0.7 |
77 | 44G | 0.435897 | 0.736842 |
78 | GP7 | 0.434783 | 0.813559 |
79 | 43Y | 0.432432 | 0.927273 |
80 | PG8 | 0.432099 | 0.736842 |
81 | PII | 0.428571 | 0.66129 |
82 | PD7 | 0.418919 | 0.732143 |
83 | PIF | 0.418605 | 0.650794 |
84 | PIZ | 0.41573 | 0.66129 |
85 | DLP | 0.414894 | 0.875 |
86 | M7U | 0.414634 | 0.732143 |
87 | D21 | 0.414634 | 0.719298 |
88 | 8ND | 0.407895 | 0.62069 |
89 | P50 | 0.406593 | 0.779661 |
90 | AGA | 0.404762 | 0.736842 |
91 | IP9 | 0.404494 | 0.66129 |
92 | 52N | 0.404494 | 0.650794 |
93 | PIO | 0.404494 | 0.650794 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1bwo.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1bwo.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1bwo.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1bwo.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |