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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 5W70 | - | 9YM | C14 H24 N3 O8 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2C81 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 5W71 | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
3 | 5W70 | - | 9YM | C14 H24 N3 O8 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9YM | 1 | 1 |
2 | DCS | 0.535714 | 0.797297 |
3 | 5PA | 0.512195 | 0.835821 |
4 | PLG | 0.506329 | 0.818182 |
5 | IN5 | 0.506329 | 0.828125 |
6 | PP3 | 0.506173 | 0.80303 |
7 | PDD | 0.506173 | 0.80303 |
8 | PDA | 0.506173 | 0.80303 |
9 | 33P | 0.5 | 0.787879 |
10 | PLA | 0.5 | 0.797101 |
11 | PMP | 0.493151 | 0.868852 |
12 | P1T | 0.487805 | 0.808824 |
13 | PMG | 0.482759 | 0.774648 |
14 | IK2 | 0.481928 | 0.808824 |
15 | PXP | 0.479452 | 0.803279 |
16 | 2BO | 0.47619 | 0.830769 |
17 | PMH | 0.47619 | 0.780822 |
18 | 2BK | 0.47619 | 0.830769 |
19 | PLS | 0.47619 | 0.875 |
20 | TLP | 0.47619 | 0.830769 |
21 | EA5 | 0.47191 | 0.811594 |
22 | ILP | 0.471264 | 0.779412 |
23 | 7TS | 0.471264 | 0.74026 |
24 | PPD | 0.470588 | 0.846154 |
25 | C6P | 0.470588 | 0.846154 |
26 | GT1 | 0.466667 | 0.723077 |
27 | QLP | 0.465909 | 0.8 |
28 | PL2 | 0.465909 | 0.797101 |
29 | PY5 | 0.465116 | 0.797101 |
30 | DOW | 0.462264 | 0.924242 |
31 | 7B9 | 0.457447 | 0.802817 |
32 | RW2 | 0.456522 | 0.785714 |
33 | 0PR | 0.456522 | 0.861538 |
34 | ORX | 0.455556 | 0.835821 |
35 | PSZ | 0.455556 | 0.736111 |
36 | PGU | 0.454545 | 0.820895 |
37 | PDG | 0.454545 | 0.820895 |
38 | 7XF | 0.454545 | 0.820895 |
39 | CBA | 0.454545 | 0.820895 |
40 | PL8 | 0.451613 | 0.77027 |
41 | PE1 | 0.450549 | 0.835821 |
42 | LPI | 0.449438 | 0.763889 |
43 | PY6 | 0.444444 | 0.774648 |
44 | 76U | 0.444444 | 0.782609 |
45 | HEY | 0.444444 | 0.771429 |
46 | DN9 | 0.442105 | 0.780822 |
47 | PL4 | 0.44086 | 0.835821 |
48 | N5F | 0.43956 | 0.808824 |
49 | 3LM | 0.43956 | 0.726027 |
50 | PXG | 0.425532 | 0.818182 |
51 | KAM | 0.416667 | 0.757143 |
52 | AQ3 | 0.414141 | 0.850746 |
53 | 2QR | 0.409449 | 0.75 |
54 | LCS | 0.402174 | 0.736842 |
55 | OJQ | 0.4 | 0.783784 |
This union binding pocket(no: 1) in the query (biounit: 5w70.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5K8B | PDG | 34.4913 |
2 | 5K8B | PDG | 34.4913 |
3 | 3FRK | TQP | 35.1206 |
4 | 3FRK | TQP | 35.1206 |
5 | 3NUB | UD0 | 38.9972 |
6 | 1B9I | PXG | 42.6966 |
7 | 3DR4 | G4M | 48.0818 |
8 | 3DR4 | G4M | 48.0818 |
9 | 3DR4 | G4M | 48.0818 |
10 | 3DR4 | G4M | 48.0818 |
This union binding pocket(no: 2) in the query (biounit: 5w70.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5K8B | PDG | 34.4913 |
2 | 5K8B | PDG | 34.4913 |
3 | 3FRK | TQP | 35.1206 |
4 | 3NUB | UD0 | 38.9972 |
5 | 3NUB | UD0 | 38.9972 |
6 | 1B9I | PXG | 42.6966 |
7 | 3DR4 | G4M | 48.0818 |
8 | 3DR4 | G4M | 48.0818 |
9 | 3DR4 | G4M | 48.0818 |
10 | 3DR4 | G4M | 48.0818 |