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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 2 families. | |||||
1 | 5IR4 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
2 | 4G32 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
3 | 4G33 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
4 | 5IR5 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
5 | 5LC8 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5IR4 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
2 | 4G32 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
3 | 4G33 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
4 | 5IR5 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
5 | 5LC8 | - | ZPE | C37 H70 N O8 P | CCCCCCCCC=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZPE | 1 | 1 |
2 | RXY | 0.957143 | 1 |
3 | LOP | 0.942857 | 1 |
4 | 6OU | 0.942857 | 1 |
5 | L9Q | 0.942857 | 1 |
6 | PEK | 0.844156 | 1 |
7 | GP7 | 0.822785 | 1 |
8 | PEV | 0.814286 | 0.980769 |
9 | 8PE | 0.814286 | 0.980769 |
10 | PEF | 0.814286 | 0.980769 |
11 | PTY | 0.814286 | 0.980769 |
12 | 3PE | 0.814286 | 0.980769 |
13 | PEH | 0.814286 | 0.980769 |
14 | 9PE | 0.802817 | 0.980769 |
15 | PCW | 0.782051 | 0.79661 |
16 | DR9 | 0.746835 | 0.830189 |
17 | PGV | 0.746835 | 0.830189 |
18 | D3D | 0.734177 | 0.830189 |
19 | PGW | 0.734177 | 0.830189 |
20 | OZ2 | 0.728395 | 0.830189 |
21 | P50 | 0.728395 | 0.924528 |
22 | P6L | 0.716049 | 0.830189 |
23 | EPH | 0.715909 | 1 |
24 | D21 | 0.706667 | 0.792453 |
25 | PSC | 0.697674 | 0.79661 |
26 | PLD | 0.666667 | 0.779661 |
27 | LIO | 0.666667 | 0.779661 |
28 | PX4 | 0.666667 | 0.779661 |
29 | HGX | 0.666667 | 0.779661 |
30 | HGP | 0.666667 | 0.779661 |
31 | 6PL | 0.666667 | 0.779661 |
32 | PC7 | 0.666667 | 0.779661 |
33 | PEE | 0.662338 | 0.962264 |
34 | B7N | 0.658824 | 0.711864 |
35 | CD4 | 0.636364 | 0.807692 |
36 | P5S | 0.625 | 0.888889 |
37 | XP5 | 0.620253 | 0.779661 |
38 | LHG | 0.620253 | 0.811321 |
39 | PGT | 0.620253 | 0.811321 |
40 | P3A | 0.613636 | 0.796296 |
41 | PIE | 0.613636 | 0.666667 |
42 | 8SP | 0.6125 | 0.888889 |
43 | POV | 0.609195 | 0.728814 |
44 | L9R | 0.609195 | 0.728814 |
45 | LBN | 0.609195 | 0.728814 |
46 | T7X | 0.608696 | 0.711864 |
47 | 6PH | 0.586667 | 0.773585 |
48 | LPP | 0.586667 | 0.773585 |
49 | F57 | 0.586667 | 0.773585 |
50 | 7PH | 0.586667 | 0.773585 |
51 | 3PH | 0.586667 | 0.773585 |
52 | PCK | 0.58427 | 0.741935 |
53 | PX2 | 0.578947 | 0.754717 |
54 | PX8 | 0.578947 | 0.754717 |
55 | 7P9 | 0.578947 | 0.773585 |
56 | LPX | 0.576923 | 0.961538 |
57 | CN3 | 0.576471 | 0.807692 |
58 | HXG | 0.575 | 0.779661 |
59 | CN6 | 0.571429 | 0.807692 |
60 | 42H | 0.569767 | 0.830508 |
61 | PA8 | 0.565789 | 0.754717 |
62 | PII | 0.552941 | 0.694915 |
63 | PGK | 0.544444 | 0.767857 |
64 | S12 | 0.54023 | 0.888889 |
65 | PD7 | 0.539474 | 0.773585 |
66 | NKP | 0.5375 | 0.792453 |
67 | PSF | 0.536585 | 0.888889 |
68 | PIZ | 0.533333 | 0.694915 |
69 | 44G | 0.530864 | 0.811321 |
70 | CDL | 0.53012 | 0.735849 |
71 | DGG | 0.526882 | 0.767857 |
72 | DLP | 0.526316 | 0.728814 |
73 | 8ND | 0.525641 | 0.716981 |
74 | M7U | 0.52381 | 0.773585 |
75 | PIF | 0.522727 | 0.683333 |
76 | IP9 | 0.522222 | 0.694915 |
77 | PG8 | 0.505882 | 0.777778 |
78 | PCF | 0.505747 | 0.711864 |
79 | PC1 | 0.505747 | 0.711864 |
80 | MC3 | 0.505747 | 0.711864 |
81 | PIO | 0.505495 | 0.683333 |
82 | 52N | 0.505495 | 0.683333 |
83 | PDK | 0.5 | 0.819672 |
84 | BQ9 | 0.5 | 0.615385 |
85 | 44E | 0.493506 | 0.773585 |
86 | MVC | 0.487179 | 0.603774 |
87 | OLC | 0.487179 | 0.603774 |
88 | OLB | 0.487179 | 0.603774 |
89 | AGA | 0.477273 | 0.777778 |
90 | K6G | 0.465116 | 0.813559 |
91 | LP3 | 0.465116 | 0.813559 |
92 | LAP | 0.465116 | 0.813559 |
93 | LPC | 0.465116 | 0.813559 |
94 | 78N | 0.455696 | 0.603774 |
95 | 78M | 0.455696 | 0.603774 |
96 | OPC | 0.44898 | 0.783333 |
97 | 1WV | 0.443038 | 0.603774 |
98 | NKN | 0.425 | 0.773585 |
99 | NKO | 0.425 | 0.773585 |
100 | 3XU | 0.42 | 0.738462 |
101 | CN5 | 0.411111 | 0.826923 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5ir4.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |