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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 2 families. | |||||
1 | 4CML | - | 52N | C25 H49 O19 P3 | CCCCCCCC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4CML | - | 52N | C25 H49 O19 P3 | CCCCCCCC(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 52N | 1 | 1 |
2 | PIO | 1 | 1 |
3 | PIF | 0.873239 | 1 |
4 | IP9 | 0.863014 | 0.979592 |
5 | PIZ | 0.851351 | 0.979592 |
6 | PII | 0.794521 | 0.979592 |
7 | PBU | 0.753425 | 0.938776 |
8 | B7N | 0.707317 | 0.96 |
9 | T7X | 0.651685 | 0.96 |
10 | DB4 | 0.631579 | 0.938776 |
11 | 5P5 | 0.620253 | 0.938776 |
12 | PIB | 0.620253 | 0.938776 |
13 | 3PH | 0.616438 | 0.857143 |
14 | 6PH | 0.616438 | 0.857143 |
15 | 7PH | 0.616438 | 0.857143 |
16 | F57 | 0.616438 | 0.857143 |
17 | LPP | 0.616438 | 0.857143 |
18 | P5S | 0.6125 | 0.736842 |
19 | 7P9 | 0.608108 | 0.857143 |
20 | CD4 | 0.602564 | 0.82 |
21 | PEF | 0.594937 | 0.694915 |
22 | 8PE | 0.594937 | 0.694915 |
23 | PTY | 0.594937 | 0.694915 |
24 | PEH | 0.594937 | 0.694915 |
25 | PEV | 0.594937 | 0.694915 |
26 | PA8 | 0.594595 | 0.8 |
27 | HGX | 0.592593 | 0.645161 |
28 | PC7 | 0.592593 | 0.645161 |
29 | PX4 | 0.592593 | 0.645161 |
30 | LIO | 0.592593 | 0.645161 |
31 | PLD | 0.592593 | 0.645161 |
32 | 6PL | 0.592593 | 0.645161 |
33 | HGP | 0.592593 | 0.645161 |
34 | PD7 | 0.589041 | 0.857143 |
35 | LHG | 0.5875 | 0.823529 |
36 | PGT | 0.5875 | 0.823529 |
37 | 9PE | 0.5875 | 0.694915 |
38 | PEE | 0.5875 | 0.683333 |
39 | PX8 | 0.586667 | 0.8 |
40 | PX2 | 0.586667 | 0.8 |
41 | XP5 | 0.567901 | 0.645161 |
42 | PIE | 0.549451 | 0.901961 |
43 | M7U | 0.548781 | 0.857143 |
44 | D21 | 0.548781 | 0.84 |
45 | CN3 | 0.546512 | 0.82 |
46 | PSF | 0.54321 | 0.736842 |
47 | 44E | 0.540541 | 0.857143 |
48 | LOP | 0.534091 | 0.683333 |
49 | L9Q | 0.534091 | 0.683333 |
50 | 6OU | 0.534091 | 0.683333 |
51 | PCW | 0.533333 | 0.634921 |
52 | D3D | 0.52809 | 0.807692 |
53 | PGW | 0.52809 | 0.807692 |
54 | P50 | 0.527473 | 0.706897 |
55 | HXG | 0.52439 | 0.645161 |
56 | CN6 | 0.523256 | 0.82 |
57 | DR9 | 0.522222 | 0.807692 |
58 | PGV | 0.522222 | 0.807692 |
59 | PCK | 0.521739 | 0.615385 |
60 | 44G | 0.518519 | 0.823529 |
61 | CDL | 0.518072 | 0.745098 |
62 | PGK | 0.516484 | 0.777778 |
63 | P6L | 0.516484 | 0.807692 |
64 | DGG | 0.516129 | 0.846154 |
65 | OZ2 | 0.51087 | 0.807692 |
66 | PSC | 0.510417 | 0.634921 |
67 | ZPE | 0.505495 | 0.683333 |
68 | PEK | 0.5 | 0.683333 |
69 | MC3 | 0.494253 | 0.606557 |
70 | PC1 | 0.494253 | 0.606557 |
71 | PCF | 0.494253 | 0.606557 |
72 | GP7 | 0.489583 | 0.683333 |
73 | 3PE | 0.488372 | 0.627119 |
74 | AGA | 0.482759 | 0.788462 |
75 | 4PT | 0.477778 | 0.882353 |
76 | PDK | 0.475728 | 0.61194 |
77 | 3PI | 0.465909 | 0.9 |
78 | DDR | 0.460526 | 0.6 |
79 | L2C | 0.460526 | 0.6 |
80 | DGA | 0.460526 | 0.6 |
81 | 1EM | 0.460526 | 0.6 |
82 | FAW | 0.460526 | 0.6 |
83 | DGD | 0.454545 | 0.709091 |
84 | 1O2 | 0.444444 | 0.690909 |
85 | 3TF | 0.44 | 0.690909 |
86 | P3A | 0.438776 | 0.773585 |
87 | SQD | 0.4375 | 0.71875 |
88 | 1L2 | 0.424528 | 0.690909 |
89 | EPH | 0.415094 | 0.683333 |
90 | NKN | 0.4125 | 0.82 |
91 | NKO | 0.4125 | 0.82 |
92 | IBS | 0.405063 | 0.74 |
93 | LP3 | 0.404494 | 0.650794 |
94 | LPC | 0.404494 | 0.650794 |
95 | LAP | 0.404494 | 0.650794 |
This union binding pocket(no: 1) in the query (biounit: 4cml.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4cml.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4cml.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |