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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 | 2XZI | - | KDM | C9 H16 O9 | C1[C@@H]([.... |
2 | 2XZJ | - | KFN | C9 H14 O8 | C1=C(O[C@H.... |
3 | 2XZK | - | K99 | C9 H14 F2 O8 | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2XZI | - | KDM | C9 H16 O9 | C1[C@@H]([.... |
2 | 2XZJ | - | KFN | C9 H14 O8 | C1=C(O[C@H.... |
3 | 2XZK | - | K99 | C9 H14 F2 O8 | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KDN | 1 | 1 |
2 | KDM | 1 | 1 |
3 | KDO | 0.64 | 0.96875 |
4 | SIA | 0.568965 | 0.72093 |
5 | SLB | 0.568965 | 0.72093 |
6 | NGE | 0.55 | 0.704545 |
7 | NGC | 0.55 | 0.704545 |
8 | 42D | 0.532258 | 0.659574 |
9 | 18D | 0.532258 | 0.688889 |
10 | FKD | 0.473684 | 0.861111 |
11 | K99 | 0.45614 | 0.861111 |
12 | 79J | 0.42029 | 0.673913 |
13 | KDF | 0.411765 | 0.805556 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KFN | 0.9621 |
2 | N88 | 0.9102 |
3 | IPT | 0.9064 |
4 | CRB | 0.9032 |
5 | YO5 | 0.8919 |
6 | CR1 | 0.8893 |
7 | XH2 | 0.8881 |
8 | 9GP | 0.8879 |
9 | NBG | 0.8841 |
10 | 4XY | 0.8833 |
11 | QZ8 | 0.8806 |
12 | TQU | 0.8800 |
13 | 49N | 0.8778 |
14 | SQP | 0.8774 |
15 | DAN | 0.8755 |
16 | 56N | 0.8751 |
17 | XQK | 0.8748 |
18 | 4GP | 0.8743 |
19 | P20 | 0.8738 |
20 | OSB | 0.8732 |
21 | GRX | 0.8719 |
22 | XD9 | 0.8712 |
23 | 1Z8 | 0.8711 |
24 | MNA | 0.8700 |
25 | CSN | 0.8695 |
26 | 1FF | 0.8688 |
27 | SFJ | 0.8678 |
28 | 25O | 0.8672 |
29 | 1PL | 0.8661 |
30 | 692 | 0.8641 |
31 | RGG | 0.8633 |
32 | B4O | 0.8632 |
33 | 29B | 0.8623 |
34 | CE2 | 0.8621 |
35 | 4AM | 0.8613 |
36 | G1P | 0.8611 |
37 | JR2 | 0.8610 |
38 | 9AM | 0.8604 |
39 | EYA | 0.8602 |
40 | IBM | 0.8601 |
41 | 49A | 0.8600 |
42 | GG5 | 0.8600 |
43 | M4B | 0.8594 |
44 | 2LX | 0.8579 |
45 | NIY | 0.8571 |
46 | M3Q | 0.8567 |
47 | ITP | 0.8557 |
48 | MOK | 0.8557 |
49 | 78U | 0.8546 |
50 | 1X8 | 0.8540 |
51 | I59 | 0.8531 |
52 | K3Y | 0.8522 |
53 | VYM | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2xzi.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2xzi.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2xzi.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2xzi.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |