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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 24 families. | |||||
1 | 2SIM | Ki = 0.38 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 1DIM | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
3 | 1DIL | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2SIM | Ki = 0.38 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 1DIM | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
3 | 1DIL | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DAN | 1 | 1 |
2 | 9AM | 0.767857 | 0.913043 |
3 | GC9 | 0.754386 | 0.933333 |
4 | 4AM | 0.661017 | 0.913043 |
5 | ZMR | 0.615385 | 0.792453 |
6 | KFN | 0.542373 | 0.704545 |
7 | 49A | 0.507692 | 0.87234 |
8 | 0HX | 0.454545 | 0.75 |
9 | RP6 | 0.452055 | 0.934783 |
10 | LNV | 0.434211 | 0.701754 |
11 | FSI | 0.408451 | 0.82 |
12 | SLB | 0.4 | 0.911111 |
13 | SIA | 0.4 | 0.911111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DF4 | 0.9792 |
2 | EQP | 0.9783 |
3 | E3M | 0.9765 |
4 | G28 | 0.9670 |
5 | AXP | 0.9657 |
6 | NGE | 0.9527 |
7 | SFJ | 0.9483 |
8 | NGC | 0.9350 |
9 | 2H8 | 0.9236 |
10 | MNA | 0.9230 |
11 | 9GW | 0.9201 |
12 | G39 | 0.9193 |
13 | ST4 | 0.9184 |
14 | 42D | 0.9176 |
15 | ST5 | 0.9150 |
16 | 9GT | 0.9105 |
17 | SIA CMO | 0.9051 |
18 | 18D | 0.9030 |
19 | MN0 | 0.9010 |
20 | GOH | 0.9001 |
21 | 9GQ | 0.8971 |
22 | 9GN | 0.8954 |
23 | ST6 | 0.8953 |
24 | SKD | 0.8936 |
25 | R2D | 0.8931 |
26 | 9GZ | 0.8929 |
27 | 5M8 | 0.8848 |
28 | NIM | 0.8848 |
29 | NG1 | 0.8783 |
30 | KDM | 0.8755 |
31 | KB8 | 0.8750 |
32 | GYG | 0.8720 |
33 | FID | 0.8714 |
34 | FIR | 0.8704 |
35 | A0O | 0.8700 |
36 | CNP | 0.8698 |
37 | KDN | 0.8670 |
38 | 3YW | 0.8654 |
39 | JT2 | 0.8647 |
40 | 3E2 | 0.8643 |
41 | JUO | 0.8627 |
42 | ST1 | 0.8622 |
43 | FIS | 0.8610 |
44 | G20 | 0.8608 |
45 | U2P | 0.8604 |
46 | 0L9 | 0.8587 |
47 | 53Q | 0.8567 |
48 | 3N4 | 0.8564 |
49 | GNT | 0.8564 |
50 | ET | 0.8550 |
51 | KLB | 0.8543 |
52 | SNG | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 2sim.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |