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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 21 families. | |||||
1 | 1I52 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
2 | 1INI | - | CDM | C14 H25 N3 O14 P2 | C[C@](CO)(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 1I52 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
2 | 1INI | - | CDM | C14 H25 N3 O14 P2 | C[C@](CO)(.... |
3 | 2XWL | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
4 | 2XWM | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
5 | 4NAL | ic50 = 2.2 uM | H70 | C10 H4 Br3 Cl2 N O | c1c(cc(c(c.... |
6 | 5MRO | ic50 = 2 uM | Q9P | C12 H9 Cl N4 O | c1ccc(cc1).... |
7 | 5HS2 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CDM | 1 | 1 |
2 | C2G | 0.795181 | 0.933333 |
3 | CDP | 0.695122 | 0.894737 |
4 | HF4 | 0.690476 | 0.894737 |
5 | CTP | 0.690476 | 0.894737 |
6 | 7XL | 0.678161 | 0.921053 |
7 | 0RC | 0.640449 | 0.897436 |
8 | CAR | 0.621951 | 0.881579 |
9 | C5P | 0.621951 | 0.881579 |
10 | C | 0.621951 | 0.881579 |
11 | C5G | 0.614583 | 0.896104 |
12 | CDC | 0.610526 | 0.833333 |
13 | CXY | 0.591837 | 0.896104 |
14 | 2TM | 0.582418 | 0.909091 |
15 | CDP MG | 0.579545 | 0.868421 |
16 | A7R | 0.566038 | 0.860759 |
17 | 1AA | 0.561905 | 0.839506 |
18 | CDP RB0 | 0.539216 | 0.896104 |
19 | PMT | 0.535714 | 0.878049 |
20 | 91P | 0.521739 | 0.793103 |
21 | AR3 | 0.518519 | 0.813333 |
22 | CTN | 0.518519 | 0.813333 |
23 | MCN | 0.512821 | 0.764045 |
24 | 2AA | 0.512821 | 0.70297 |
25 | GPC | 0.495868 | 0.764045 |
26 | FN5 | 0.495726 | 0.876543 |
27 | I5A | 0.493976 | 0.753247 |
28 | NCC | 0.483333 | 0.922078 |
29 | C3P | 0.483146 | 0.868421 |
30 | PCD | 0.48 | 0.731183 |
31 | FZQ | 0.48 | 0.784091 |
32 | CSF | 0.479339 | 0.876543 |
33 | CSQ | 0.477064 | 0.860759 |
34 | CSV | 0.477064 | 0.860759 |
35 | HQ5 | 0.461538 | 0.766667 |
36 | C5P SIA | 0.451613 | 0.897436 |
37 | G C | 0.447154 | 0.77907 |
38 | DCP | 0.44 | 0.858974 |
39 | G G 6MZ C | 0.439024 | 0.8 |
40 | 16B | 0.43617 | 0.825 |
41 | C2P | 0.434783 | 0.881579 |
42 | YSC | 0.432432 | 0.736264 |
43 | GTF | 0.431373 | 0.8125 |
44 | YYY | 0.428571 | 0.858974 |
45 | UTP | 0.428571 | 0.842105 |
46 | UDP | 0.427083 | 0.842105 |
47 | U5F | 0.424242 | 0.842105 |
48 | DKZ | 0.417582 | 0.7125 |
49 | GCQ | 0.415842 | 0.8125 |
50 | UPP | 0.415094 | 0.820513 |
51 | UDH | 0.415094 | 0.85 |
52 | CG2 | 0.404762 | 0.811765 |
53 | 5HM | 0.402062 | 0.884615 |
54 | UNP | 0.401961 | 0.820513 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UAD | 0.8607 |
This union binding pocket(no: 1) in the query (biounit: 1i52.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1i52.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |