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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 3 families. | |||||
1 | 1EW9 | Ki = 0.6 mM | MMQ | C H3 O3 P S | C(P(=O)([O.... |
2 | 3DPC | Kd = 44 uM | HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP | n/a | n/a |
3 | 1KH5 | - | AF3 | Al F3 | F[Al](F)F |
4 | 1EW8 | Ki = 5.5 mM | PAE | C2 H5 O5 P | C(C(=O)O)P.... |
5 | 1KHJ | - | AF3 | Al F3 | F[Al](F)F |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1EW9 | Ki = 0.6 mM | MMQ | C H3 O3 P S | C(P(=O)([O.... |
2 | 3DPC | Kd = 44 uM | HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP | n/a | n/a |
3 | 1KH5 | - | AF3 | Al F3 | F[Al](F)F |
4 | 1EW8 | Ki = 5.5 mM | PAE | C2 H5 O5 P | C(C(=O)O)P.... |
5 | 1KHJ | - | AF3 | Al F3 | F[Al](F)F |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AF3 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | VN4 | 1.0285 |
2 | IPA | 1.0000 |
3 | 78T | 1.0000 |
4 | 2PO | 1.0000 |
5 | MCH | 1.0000 |
6 | BEF | 1.0000 |
7 | KCS | 1.0000 |
8 | SEY | 0.9990 |
9 | ACM | 0.9942 |
10 | ACT | 0.9874 |
11 | J3K | 0.9627 |
12 | 2A1 | 0.9622 |
13 | 2A3 | 0.9619 |
14 | 61G | 0.9597 |
15 | GOA | 0.9577 |
16 | GLV | 0.9565 |
17 | ALA | 0.9525 |
18 | FAH | 0.9524 |
19 | F50 | 0.9509 |
20 | PPI | 0.9502 |
21 | TSZ | 0.9499 |
22 | CP2 | 0.9449 |
23 | AKR | 0.9449 |
24 | HVB | 0.9437 |
25 | HAE | 0.9415 |
26 | MGX | 0.9370 |
27 | F3V | 0.9368 |
28 | AGU | 0.9362 |
29 | EDO | 0.9361 |
30 | 1BP | 0.9359 |
31 | GLY | 0.9357 |
32 | BRP | 0.9352 |
33 | NHY | 0.9348 |
34 | TCV | 0.9343 |
35 | BRJ | 0.9338 |
36 | 73M | 0.9335 |
37 | NMU | 0.9322 |
38 | NIE | 0.9320 |
39 | R3W | 0.9282 |
40 | ATO | 0.9262 |
41 | CB0 | 0.9235 |
42 | CPT | 0.9198 |
43 | BXA | 0.9166 |
44 | MSM | 0.9085 |
45 | FPO | 0.9074 |
46 | WO6 | 0.9060 |
47 | ABA | 0.9054 |
48 | 3CL | 0.9035 |
49 | OSM | 0.9018 |
50 | 2PA | 0.9014 |
51 | N2O | 0.9003 |
52 | SO2 | 0.9002 |
53 | NOE | 0.8977 |
54 | TBU | 0.8967 |
55 | 2HP | 0.8966 |
56 | ALF | 0.8962 |
57 | GXV | 0.8958 |
58 | GOL | 0.8958 |
59 | FUS | 0.8957 |
60 | 03S | 0.8954 |
61 | 3GR | 0.8948 |
62 | TMO | 0.8940 |
63 | HP4 | 0.8933 |
64 | DTZ | 0.8932 |
65 | GB | 0.8929 |
66 | PXO | 0.8910 |
67 | D2P | 0.8910 |
68 | 9A4 | 0.8863 |
69 | BF4 | 0.8858 |
70 | BBX | 0.8853 |
71 | AXO | 0.8831 |
72 | PO4 | 0.8826 |
73 | PEJ | 0.8808 |
74 | ART | 0.8801 |
75 | 1CB | 0.8786 |
76 | CYS | 0.8784 |
77 | PZO | 0.8778 |
78 | 6SP | 0.8762 |
79 | IMD | 0.8760 |
80 | TRI | 0.8755 |
81 | HUH | 0.8749 |
82 | QPT | 0.8745 |
83 | GBL | 0.8706 |
84 | 9XN | 0.8705 |
85 | BAQ | 0.8668 |
86 | OXM | 0.8637 |
87 | 3MT | 0.8625 |
88 | AMT | 0.8624 |
89 | LAC | 0.8579 |
90 | 2OP | 0.8576 |
91 | PYR | 0.8571 |
92 | 3ZS | 0.8559 |
93 | 3TR | 0.8554 |
94 | ATQ | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 3dpc.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |