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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 1331 families. | |||||
1 | 6NSF | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
2 | 6BKR | - | NAG GAL SIA | n/a | n/a |
3 | 5XLD | - | NAG GAL SIA | n/a | n/a |
4 | 5VTW | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 36 families. | |||||
1 | 1RVZ | - | NAG GAL SIA | n/a | n/a |
2 | 1RVX | - | NAG GAL SIA | n/a | n/a |
3 | 1RV0 | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 1RVT | - | BGC GAL NAG GAL SIA | n/a | n/a |
5 | 4BH3 | Kd = 12 mM | NAG GAL SIA | n/a | n/a |
6 | 4CQW | - | NAG GAL SIA | n/a | n/a |
7 | 4BH0 | Kd = 21 mM | GAL SIA | n/a | n/a |
8 | 3ZNL | - | NGS FUC GLA SIA | n/a | n/a |
9 | 1JSO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 3ZP2 | - | GAL SIA | n/a | n/a |
11 | 6VMZ | - | R3P | C15 H20 Cl2 N2 O | CC(C)N1CCC.... |
12 | 4CQY | - | NAG GAL SIA | n/a | n/a |
13 | 4BGX | Kd = 17 mM | GAL SIA | n/a | n/a |
14 | 4CQR | - | GAL SIA | n/a | n/a |
15 | 4BH4 | Kd = 32 mM | NAG GAL SIA | n/a | n/a |
16 | 1JSN | - | NAG GAL SIA | n/a | n/a |
17 | 4CQX | - | NAG GAL SIA | n/a | n/a |
18 | 4BH1 | Kd = 1.1 mM | NAG GAL SIA | n/a | n/a |
19 | 6CFG | - | EZ7 | C28 H27 N9 O3 | CC(=O)Nc1c.... |
20 | 4KDO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 3ZNM | - | NAG FUC GLA SIA | n/a | n/a |
22 | 4KDN | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
23 | 4CQU | - | GAL SIA | n/a | n/a |
24 | 5AJM | - | NAG GAL SIA | n/a | n/a |
25 | 6NSF | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
26 | 6BKT | - | NAG GAL SIA | n/a | n/a |
27 | 6AOS | - | NAG GAL SIA | n/a | n/a |
28 | 6BKS | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
29 | 6AOT | - | GAL SIA | n/a | n/a |
30 | 6NSG | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
31 | 6AOV | - | NAG GAL NAG GAL SIA | n/a | n/a |
32 | 6BKR | - | NAG GAL SIA | n/a | n/a |
33 | 3UBQ | - | NAG GAL SIA | n/a | n/a |
34 | 3UBE | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
35 | 3UBJ | - | GAL SIA | n/a | n/a |
36 | 6TVB | - | NAG GAL SIA | n/a | n/a |
37 | 6TXO | - | GAL SIA | n/a | n/a |
38 | 4D00 | - | NAG GAL SIA | n/a | n/a |
39 | 5TH1 | - | GAL SIA | n/a | n/a |
40 | 6TVT | - | GAL SIA | n/a | n/a |
41 | 6TVS | - | GAL SIA | n/a | n/a |
42 | 4CYZ | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
43 | 6TWI | - | NAG GAL SIA | n/a | n/a |
44 | 6TVA | - | NAG GAL SIA | n/a | n/a |
45 | 5TGU | - | NAG GAL SIA | n/a | n/a |
46 | 4N62 | - | NGS GAL SIA | n/a | n/a |
47 | 4BSH | - | GAL SIA | n/a | n/a |
48 | 6IDB | - | NAG GAL SIA | n/a | n/a |
49 | 4BSB | - | NAG GAL SIA | n/a | n/a |
50 | 4LN8 | - | NAG SIA | n/a | n/a |
51 | 4BSD | - | NAG GAL SIA | n/a | n/a |
52 | 4LKK | Kd = 0.33 uM | GAL SIA | n/a | n/a |
53 | 5T6S | - | 75U | C22 H25 Br N2 O3 S | CCOC(=O)c1.... |
54 | 1JSH | - | GAL SIA | n/a | n/a |
55 | 1JSI | - | GLC GAL NAG GAL SIA | n/a | n/a |
56 | 5XL7 | - | NAG GAL SIA | n/a | n/a |
57 | 5XL6 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
58 | 5XLC | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
59 | 5XL3 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
60 | 5XL4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
61 | 5XLD | - | NAG GAL SIA | n/a | n/a |
62 | 5VTY | - | GAL SIA | n/a | n/a |
63 | 5VTR | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
64 | 5VTV | - | GAL SIA | n/a | n/a |
65 | 5VU4 | - | GAL SIA | n/a | n/a |
66 | 4WE5 | - | NAG NAG BMA | n/a | n/a |
67 | 6BKQ | - | NAG GAL SIA | n/a | n/a |
68 | 5VTW | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
69 | 3EYK | - | EYK | C10 H14 O2 | CC(C)(C)c1.... |
70 | 5VMF | Kd = 0.305 uM | NAG GAL SIA | n/a | n/a |
71 | 5VMC | - | NAG GAL SIA | n/a | n/a |
72 | 5VMG | - | NAG GAL SIA | n/a | n/a |
73 | 4XKF | - | NAG GAL SIA | n/a | n/a |
74 | 5BR6 | - | NAG GAL SIA | n/a | n/a |
75 | 4XKG | - | SIA GAL | n/a | n/a |
76 | 4XKE | - | NAG GAL SIA | n/a | n/a |
77 | 5T0E | - | GAL SIA | n/a | n/a |
78 | 5T0B | - | NAG GAL SIA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SIA | 1 | 1 |
2 | SLB | 1 | 1 |
3 | 42D | 0.758621 | 0.875 |
4 | 18D | 0.758621 | 0.955556 |
5 | NGE | 0.754386 | 0.933333 |
6 | NGC | 0.754386 | 0.933333 |
7 | MNA | 0.629032 | 0.895833 |
8 | 79J | 0.615385 | 0.934783 |
9 | SIA CMO | 0.59375 | 0.877551 |
10 | CNP | 0.58209 | 0.875 |
11 | KDM | 0.568965 | 0.72093 |
12 | KDN | 0.568965 | 0.72093 |
13 | SIA SIA | 0.565789 | 0.826923 |
14 | SLB SIA SIA SIA SIA | 0.558442 | 0.826923 |
15 | SLB SIA SIA SIA | 0.558442 | 0.826923 |
16 | SLB SIA SIA | 0.558442 | 0.826923 |
17 | SIA SIA SIA SIA SIA SIA SIA | 0.558442 | 0.826923 |
18 | FSI | 0.515152 | 0.895833 |
19 | SFJ | 0.5 | 0.875 |
20 | 6KL | 0.5 | 0.807692 |
21 | MN0 | 0.485714 | 0.895833 |
22 | EQP | 0.470588 | 0.788462 |
23 | AXP | 0.470588 | 0.788462 |
24 | GAL SIA | 0.4625 | 0.86 |
25 | SID | 0.459459 | 0.82 |
26 | SIA SIA SIA | 0.453488 | 0.826923 |
27 | MUS | 0.449438 | 0.796296 |
28 | NXD | 0.447368 | 0.792453 |
29 | WIA SIA | 0.447059 | 0.767857 |
30 | 2FG SIA | 0.447059 | 0.796296 |
31 | KDO | 0.435484 | 0.704545 |
32 | NAG SIA | 0.430233 | 0.781818 |
33 | BND | 0.416667 | 0.807692 |
34 | SKD | 0.414286 | 0.875 |
35 | GAL SIA SIA | 0.410526 | 0.811321 |
36 | E3M | 0.402778 | 0.606061 |
37 | 4AM | 0.4 | 0.833333 |
38 | DAN | 0.4 | 0.911111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 49A | 0.9738 |
2 | 9AM | 0.9671 |
3 | DF4 | 0.9637 |
4 | G28 | 0.9369 |
5 | GC9 | 0.9014 |
6 | G39 | 0.8962 |
7 | 9GW | 0.8947 |
8 | 0HX | 0.8920 |
9 | ST5 | 0.8919 |
10 | 9GT | 0.8895 |
11 | K99 | 0.8872 |
12 | ZMR | 0.8860 |
13 | 2H8 | 0.8805 |
14 | ST4 | 0.8777 |
15 | R2D | 0.8751 |
16 | 5M8 | 0.8749 |
17 | 9GN | 0.8727 |
18 | 9GQ | 0.8684 |
19 | NG1 | 0.8662 |
20 | KFN | 0.8658 |
21 | 9GZ | 0.8646 |
22 | ST6 | 0.8636 |
23 | LNV | 0.8630 |
24 | FID | 0.8627 |
25 | HBQ | 0.8617 |
26 | GYG | 0.8600 |
27 | RP6 | 0.8554 |
This union binding pocket(no: 1) in the query (biounit: 6aov.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |