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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4I9T | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
2 | 4F2B | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
3 | 4S3G | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
4 | 4I90 | - | CHT | C5 H14 N O | C[N+](C)(C.... |
5 | 4RV3 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
6 | 3V16 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
7 | 4I9J | - | XP5 | C22 H45 N O8 P | CCCCCCC(=O.... |
8 | 3V1H | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4I9T | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
2 | 4F2B | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
3 | 4S3G | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
4 | 4I90 | - | CHT | C5 H14 N O | C[N+](C)(C.... |
5 | 4RV3 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
6 | 3V16 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
7 | 4I9J | - | XP5 | C22 H45 N O8 P | CCCCCCC(=O.... |
8 | 3V1H | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
9 | 3EA2 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
10 | 1GYM | ic50 = 2 mM | MYG | C12 H23 N O10 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | XP5 | 1 | 1 |
2 | LIO | 0.935484 | 1 |
3 | 6PL | 0.935484 | 1 |
4 | HGP | 0.935484 | 1 |
5 | PLD | 0.935484 | 1 |
6 | PX4 | 0.935484 | 1 |
7 | PC7 | 0.935484 | 1 |
8 | HGX | 0.935484 | 1 |
9 | HXG | 0.901639 | 1 |
10 | PCW | 0.816901 | 0.981481 |
11 | PCK | 0.794521 | 0.946429 |
12 | 9PE | 0.761194 | 0.793103 |
13 | PEV | 0.746269 | 0.793103 |
14 | PTY | 0.746269 | 0.793103 |
15 | PEF | 0.746269 | 0.793103 |
16 | 8PE | 0.746269 | 0.793103 |
17 | 3PE | 0.746269 | 0.793103 |
18 | PEH | 0.746269 | 0.793103 |
19 | PSC | 0.74359 | 0.981481 |
20 | PEE | 0.710145 | 0.810345 |
21 | CD4 | 0.681159 | 0.727273 |
22 | MC3 | 0.680556 | 0.924528 |
23 | PCF | 0.680556 | 0.924528 |
24 | PC1 | 0.680556 | 0.924528 |
25 | PD7 | 0.671875 | 0.727273 |
26 | PGT | 0.661972 | 0.701754 |
27 | LHG | 0.661972 | 0.701754 |
28 | L9Q | 0.657895 | 0.779661 |
29 | LOP | 0.657895 | 0.779661 |
30 | 6OU | 0.657895 | 0.779661 |
31 | 8SP | 0.652778 | 0.745763 |
32 | RXY | 0.649351 | 0.779661 |
33 | P5S | 0.643836 | 0.745763 |
34 | 7P9 | 0.641791 | 0.727273 |
35 | LP3 | 0.633803 | 0.963636 |
36 | LAP | 0.633803 | 0.963636 |
37 | K6G | 0.633803 | 0.963636 |
38 | LPC | 0.633803 | 0.963636 |
39 | 44G | 0.628571 | 0.701754 |
40 | F57 | 0.626866 | 0.727273 |
41 | 7PH | 0.626866 | 0.727273 |
42 | 6PH | 0.626866 | 0.727273 |
43 | 3PH | 0.626866 | 0.727273 |
44 | LPP | 0.626866 | 0.727273 |
45 | PA8 | 0.626866 | 0.773585 |
46 | ZPE | 0.620253 | 0.779661 |
47 | PX2 | 0.617647 | 0.773585 |
48 | PX8 | 0.617647 | 0.773585 |
49 | 43Y | 0.61194 | 0.962264 |
50 | PSF | 0.611111 | 0.745763 |
51 | CN3 | 0.61039 | 0.727273 |
52 | L9R | 0.604938 | 0.907407 |
53 | LBN | 0.604938 | 0.907407 |
54 | POV | 0.604938 | 0.907407 |
55 | GP7 | 0.595238 | 0.779661 |
56 | 44E | 0.590909 | 0.727273 |
57 | PEK | 0.590361 | 0.779661 |
58 | PIF | 0.589744 | 0.645161 |
59 | D3D | 0.5875 | 0.689655 |
60 | PGW | 0.5875 | 0.689655 |
61 | PII | 0.584416 | 0.655738 |
62 | CN6 | 0.584416 | 0.727273 |
63 | PGV | 0.580247 | 0.689655 |
64 | DR9 | 0.580247 | 0.689655 |
65 | PC5 | 0.575342 | 0.824561 |
66 | P6L | 0.573171 | 0.689655 |
67 | PGK | 0.573171 | 0.666667 |
68 | IP9 | 0.567901 | 0.655738 |
69 | 52N | 0.567901 | 0.645161 |
70 | PIO | 0.567901 | 0.645161 |
71 | OZ2 | 0.566265 | 0.689655 |
72 | P50 | 0.566265 | 0.745763 |
73 | 42H | 0.5625 | 0.946429 |
74 | PIZ | 0.560976 | 0.655738 |
75 | CDL | 0.56 | 0.722222 |
76 | DGG | 0.552941 | 0.666667 |
77 | M7U | 0.552632 | 0.727273 |
78 | PG8 | 0.552632 | 0.701754 |
79 | D21 | 0.552632 | 0.714286 |
80 | DLP | 0.551724 | 0.907407 |
81 | 3PC | 0.545455 | 0.90566 |
82 | B7N | 0.523256 | 0.645161 |
83 | PDK | 0.521277 | 0.777778 |
84 | AGA | 0.518987 | 0.701754 |
85 | EPH | 0.516129 | 0.779661 |
86 | 8ND | 0.513889 | 0.614035 |
87 | LPX | 0.486842 | 0.775862 |
88 | PIE | 0.483146 | 0.629032 |
89 | T7X | 0.468085 | 0.645161 |
90 | P3A | 0.466667 | 0.689655 |
91 | PQJ | 0.447761 | 0.886792 |
92 | LPE | 0.441558 | 0.909091 |
93 | OPC | 0.434783 | 0.963636 |
94 | SPU | 0.421687 | 0.803279 |
95 | I35 | 0.419753 | 0.606557 |
96 | OCB | 0.410959 | 0.796296 |
97 | CN5 | 0.409639 | 0.745455 |
98 | NKO | 0.405405 | 0.696429 |
99 | NKN | 0.405405 | 0.696429 |
100 | 3XU | 0.404255 | 0.809524 |
101 | CH5 | 0.402985 | 0.789474 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4i90.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4i90.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |