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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 1 families. | |||||
1 | 1DTH | ic50 = 6 nM | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
2 | 1ATL | Ki = 0.52 uM | 0QI | C17 H25 N O4 S | CC(C)C[C@H.... |
3 | 4AIG | ic50 = 0.3 uM | FLX | C21 H26 N3 O6 P | CC(C)C[C@@.... |
4 | 2W12 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
5 | 2W15 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
6 | 2W13 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
7 | 2W14 | ic50 = 22.2 uM | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1KUI | Ki = 0.169 mM | PCA GLN TRP | n/a | n/a |
2 | 1KUG | Ki = 160 uM | PCA ASN TRP | n/a | n/a |
3 | 1KUK | Ki = 0.124 mM | PCA LYS TRP | n/a | n/a |
4 | 1R55 | - | 097 | C15 H29 N3 O5 | CC(C)C[C@H.... |
5 | 1DTH | ic50 = 6 nM | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
6 | 1ATL | Ki = 0.52 uM | 0QI | C17 H25 N O4 S | CC(C)C[C@H.... |
7 | 4DD8 | - | BAT | C23 H31 N3 O4 S2 | CC(C)C[C@H.... |
8 | 4AIG | ic50 = 0.3 uM | FLX | C21 H26 N3 O6 P | CC(C)C[C@@.... |
9 | 1YP1 | - | LYS ASN LEU | n/a | n/a |
10 | 2W12 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
11 | 2W15 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
12 | 2W13 | - | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
13 | 2W14 | ic50 = 22.2 uM | WR2 | C20 H33 N5 O5 S | CC(C)C[C@H.... |
This union binding pocket(no: 1) in the query (biounit: 2w14.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1NU4 | MLA | None |
2 | 5NM7 | GLY | None |
3 | 2GJ5 | VD3 | None |
4 | 3KO0 | TFP | None |
5 | 2OUA | AES | 1.06383 |
6 | 3GD8 | GOL | 1.48515 |
7 | 1IID | NHM | 1.9802 |
8 | 3RV5 | DXC | 2.24719 |
9 | 4QHP | 32Q | 2.47525 |
10 | 2OWZ | CIT | 2.47525 |
11 | 1H0A | I3P | 2.53165 |
12 | 2ZL4 | ALA ALA ALA ALA | 2.55102 |
13 | 1RL4 | BRR | 2.65957 |
14 | 1LQY | BB2 | 2.71739 |
15 | 4AR8 | IP8 GLY PRO ALA | 2.9703 |
16 | 5JF2 | SF7 | 2.9703 |
17 | 4WOE | 3S5 | 2.9703 |
18 | 3AQT | RCO | 2.9703 |
19 | 4D9C | PMP | 2.9703 |
20 | 4WOP | CTP | 2.9703 |
21 | 3TKI | S25 | 2.9703 |
22 | 5TSU | CYS | 2.9703 |
23 | 3E3U | NVC | 3.04569 |
24 | 4JE7 | BB2 | 3.04569 |
25 | 3UWB | BB2 | 3.24675 |
26 | 2XYA | 7L4 | 3.2967 |
27 | 3AHO | 3A2 | 3.46535 |
28 | 4BXK | 1IU | 3.46535 |
29 | 2NV2 | GLN | 3.46535 |
30 | 5L44 | K26 | 3.46535 |
31 | 4B7X | NAP | 3.46535 |
32 | 1YMT | DR9 | 3.46535 |
33 | 5OSW | DIU | 3.46535 |
34 | 1G27 | BB1 | 3.57143 |
35 | 2EW5 | Y12 | 3.8674 |
36 | 4CA5 | 3EF | 3.9604 |
37 | 1Y79 | LYS TRP | 3.9604 |
38 | 3M6P | BB2 | 4.14508 |
39 | 4DR9 | BB2 | 4.16667 |
40 | 3G5K | BB2 | 4.37158 |
41 | 5N26 | CPT | 4.3956 |
42 | 1S17 | GNR | 4.44444 |
43 | 2YB9 | HA0 | 4.45545 |
44 | 4B52 | RDF | 4.45545 |
45 | 3C88 | ARG ARG GLY CYS NH2 | 4.45545 |
46 | 4EOX | 0S5 | 4.9505 |
47 | 6BTN | E8M | 4.9505 |
48 | 5Z3I | ADE | 4.9505 |
49 | 2V57 | PRL | 5.26316 |
50 | 5ZI7 | GLU | 5.44554 |
51 | 2ZXG | S23 | 5.44554 |
52 | 4TMN | 0PK | 5.44554 |
53 | 1EM6 | NBG | 5.44554 |
54 | 1QJI | PKF | 5.5 |
55 | 1T0S | BML | 5.81395 |
56 | 5MTE | BB2 | 5.83942 |
57 | 1FBL | HTA | 5.94059 |
58 | 4IN9 | SER TRP PHE PRO | 6.0241 |
59 | 3G6N | MET ALA SER | 6.28272 |
60 | 1WS1 | BB2 | 6.41026 |
61 | 4ZW3 | 4S9 | 6.43564 |
62 | 4C2C | ALA ALA ALA | 6.43564 |
63 | 4MRP | GSH | 6.43564 |
64 | 1MMQ | RRS | 6.47059 |
65 | 3KP6 | SAL | 6.62252 |
66 | 4WZV | E40 | 6.875 |
67 | 3D3X | ARG ILE MET GLU NH2 | 6.93069 |
68 | 3BP1 | GUN | 6.93069 |
69 | 2TCL | RO4 | 7.10059 |
70 | 3O5N | BR0 | 7.14286 |
71 | 1ZVX | FIN | 7.36196 |
72 | 4GAA | BES | 7.42574 |
73 | 3ZVS | MLI | 7.5 |
74 | 5AB0 | 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN | 8.41584 |
75 | 4KX8 | L2O VAL VAL ASP | 8.41584 |
76 | 1ZED | PNP | 8.41584 |
77 | 2XQ0 | BES | 9.40594 |
78 | 1QM5 | PLP | 9.40594 |
79 | 4EDF | UPG | 9.40594 |
80 | 1Q3A | NGH | 10.303 |
81 | 2VJ8 | HA2 | 10.396 |
82 | 1Q1Y | BB2 | 10.4712 |
83 | 1HFS | L04 | 11.25 |
84 | 5O7E | 9NB | 11.3861 |
85 | 4DV8 | 0LX | 11.8812 |
86 | 3DWB | RDF | 12.3762 |
87 | 6GMN | F4E | 12.963 |
88 | 2OKL | BB2 | 13.5135 |
89 | 5CX8 | TG6 | 14.8515 |
90 | 2FV5 | 541 | 35.1485 |
91 | 1BKC | INN | 35.6436 |
92 | 4WKI | 3PW | 48.0198 |