- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 1 families. | |||||
1 | 4JWK | Kd = 5.3 nM | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
2 | 4JX9 | Kd = 1.4 nM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
3 | 4QD3 | Kd = 0.000000064 M | 5AE | C8 H12 N4 O5 | C1=NC(=NC(.... |
4 | 4QBK | Kd = 0.000000064 M | 3NZ | C20 H25 N7 O5 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4JWK | Kd = 5.3 nM | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
2 | 4JX9 | Kd = 1.4 nM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
3 | 4QD3 | Kd = 0.000000064 M | 5AE | C8 H12 N4 O5 | C1=NC(=NC(.... |
4 | 4QBK | Kd = 0.000000064 M | 3NZ | C20 H25 N7 O5 | COc1ccc(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3NZ | 1 | 1 |
2 | D3Y | 0.827586 | 0.956522 |
3 | A3S | 0.701149 | 0.927536 |
4 | A3T | 0.648352 | 0.913043 |
5 | A3G | 0.588889 | 0.914286 |
6 | J4G | 0.561905 | 0.7875 |
7 | YSA | 0.522523 | 0.747126 |
8 | VRT | 0.5 | 0.902778 |
9 | 2VA | 0.485149 | 0.887324 |
10 | SO8 | 0.471154 | 0.875 |
11 | 5X8 | 0.470588 | 0.847222 |
12 | NVA 2AD | 0.461538 | 0.890411 |
13 | GLU GMC | 0.458716 | 0.868421 |
14 | LSS | 0.45045 | 0.711111 |
15 | XYA | 0.449438 | 0.884058 |
16 | RAB | 0.449438 | 0.884058 |
17 | ADN | 0.449438 | 0.884058 |
18 | 6RE | 0.44898 | 0.792208 |
19 | EEM | 0.448598 | 0.807692 |
20 | FA5 | 0.448276 | 0.820513 |
21 | AHX | 0.446429 | 0.8125 |
22 | A3P | 0.445545 | 0.75641 |
23 | A5A | 0.444444 | 0.712644 |
24 | 3AM | 0.443299 | 0.766234 |
25 | SMM | 0.440367 | 0.8 |
26 | SSA | 0.440367 | 0.747126 |
27 | 5N5 | 0.43956 | 0.857143 |
28 | A | 0.438776 | 0.779221 |
29 | AMP | 0.438776 | 0.779221 |
30 | DSZ | 0.4375 | 0.727273 |
31 | 54H | 0.436364 | 0.696629 |
32 | VMS | 0.436364 | 0.696629 |
33 | EP4 | 0.43617 | 0.810811 |
34 | 5AL | 0.435185 | 0.794872 |
35 | A4D | 0.434783 | 0.857143 |
36 | NWW | 0.434783 | 0.797101 |
37 | 5CD | 0.434783 | 0.816901 |
38 | FYA | 0.434783 | 0.818182 |
39 | SA8 | 0.433962 | 0.828947 |
40 | QA7 | 0.432432 | 0.765432 |
41 | 53H | 0.432432 | 0.688889 |
42 | TSB | 0.432432 | 0.724138 |
43 | 5CA | 0.432432 | 0.747126 |
44 | M2T | 0.431579 | 0.789474 |
45 | NEC | 0.43 | 0.830986 |
46 | 9ZD | 0.428571 | 0.777778 |
47 | 9ZA | 0.428571 | 0.777778 |
48 | SFG | 0.428571 | 0.833333 |
49 | WSA | 0.427419 | 0.735632 |
50 | S7M | 0.427273 | 0.78481 |
51 | SRP | 0.427273 | 0.820513 |
52 | MTA | 0.427083 | 0.833333 |
53 | 5AD | 0.426966 | 0.782609 |
54 | GSU | 0.426087 | 0.707865 |
55 | SAM | 0.425926 | 0.807692 |
56 | 45A | 0.425743 | 0.805195 |
57 | ABM | 0.425743 | 0.805195 |
58 | J7C | 0.425743 | 0.802632 |
59 | 0UM | 0.424779 | 0.818182 |
60 | AMO | 0.424779 | 0.820513 |
61 | 52H | 0.423423 | 0.688889 |
62 | SON | 0.423077 | 0.775 |
63 | 7D5 | 0.42268 | 0.725 |
64 | NB8 | 0.422414 | 0.790123 |
65 | 7D7 | 0.422222 | 0.777778 |
66 | GJV | 0.421569 | 0.782051 |
67 | 7MD | 0.421488 | 0.783133 |
68 | DLL | 0.421053 | 0.794872 |
69 | PAP | 0.420561 | 0.769231 |
70 | AMP MG | 0.42 | 0.789474 |
71 | 8LQ | 0.419643 | 0.797468 |
72 | CA0 | 0.419048 | 0.78481 |
73 | 3DH | 0.418367 | 0.808219 |
74 | NWQ | 0.418367 | 0.826087 |
75 | SAI | 0.416667 | 0.813333 |
76 | DTA | 0.416667 | 0.797297 |
77 | SAH | 0.416667 | 0.824324 |
78 | G5A | 0.416667 | 0.727273 |
79 | 8QN | 0.415929 | 0.794872 |
80 | N5O | 0.415842 | 0.873239 |
81 | KG4 | 0.415094 | 0.78481 |
82 | 8LH | 0.414414 | 0.797468 |
83 | KAA | 0.413793 | 0.703297 |
84 | 5AS | 0.413462 | 0.688889 |
85 | ADP | 0.413462 | 0.782051 |
86 | GAP | 0.412844 | 0.78481 |
87 | PAJ | 0.412281 | 0.780488 |
88 | A2D | 0.411765 | 0.805195 |
89 | PRX | 0.411215 | 0.7625 |
90 | ME8 | 0.410256 | 0.783133 |
91 | LMS | 0.41 | 0.689655 |
92 | AN2 | 0.409524 | 0.772152 |
93 | V2G | 0.409091 | 0.768293 |
94 | PPS | 0.409091 | 0.689655 |
95 | 8LE | 0.409091 | 0.765432 |
96 | NVA LMS | 0.408696 | 0.703297 |
97 | XAH | 0.408333 | 0.761905 |
98 | N5A | 0.407767 | 0.84507 |
99 | DAL AMP | 0.40708 | 0.794872 |
100 | KB1 | 0.40678 | 0.794872 |
101 | OVE | 0.405941 | 0.75 |
102 | SRA | 0.405941 | 0.740741 |
103 | AU1 | 0.40566 | 0.7625 |
104 | M33 | 0.40566 | 0.818182 |
105 | LEU LMS | 0.405172 | 0.719101 |
106 | 2AM | 0.40404 | 0.779221 |
107 | A12 | 0.403846 | 0.775 |
108 | AP2 | 0.403846 | 0.775 |
109 | BA3 | 0.403846 | 0.805195 |
110 | HZ2 | 0.403226 | 0.855263 |
111 | AOC | 0.401961 | 0.833333 |
112 | ACP | 0.401869 | 0.78481 |
113 | HEJ | 0.401869 | 0.782051 |
114 | ATP | 0.401869 | 0.782051 |
115 | WAQ | 0.401709 | 0.756098 |
116 | LAD | 0.401709 | 0.780488 |
117 | YLB | 0.401575 | 0.764706 |
118 | YLC | 0.401575 | 0.783133 |
119 | B4P | 0.4 | 0.805195 |
120 | 4AD | 0.4 | 0.810127 |
121 | NSS | 0.4 | 0.727273 |
122 | YLP | 0.4 | 0.764706 |
123 | AP5 | 0.4 | 0.805195 |
124 | ACQ | 0.4 | 0.78481 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4qbk.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |