- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 4 families. | |||||
1 | 1KYV | Kd = 1.2 uM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
2 | 1KYY | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4KQ6 | - | DLZ | C13 H18 N4 O6 | CC1=C(N(C2.... |
2 | 2C97 | Ka = 1380000 M^-1 | JCL | C8 H12 Cl N2 O6 P | C(CCOP(=O).... |
3 | 2C94 | Ka = 6540000 M^-1 | TSF | C15 H23 F2 N4 O10 P | C(CCN1C2=C.... |
4 | 1W19 | - | T1P | C13 H21 N4 O11 P | C(CN1C2=C(.... |
5 | 2C92 | Ka = 474900 M^-1 | TP6 | C15 H25 N4 O11 P | C(CCN1C2=C.... |
6 | 2VI5 | Ki = 110 uM | Y19 | C12 H20 N4 O7 | CCC(=O)N[C.... |
7 | 1W29 | - | TS0 | C14 H23 N4 O11 P | C(CCOP(=O).... |
8 | 1NQX | - | RLP | C14 H18 N4 O9 | C(CC(=O)O).... |
9 | 1NQU | - | RDL | C11 H14 N4 O8 | C([C@@H]([.... |
10 | 1NQW | - | 5YL | C14 H26 N3 O9 P | C(CCC1=C(N.... |
11 | 1NQV | - | LMZ | C9 H14 N4 O7 | C([C@@H]([.... |
12 | 1RVV | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
13 | 1KYV | Kd = 1.2 uM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
14 | 1KYY | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
15 | 1EJB | - | INJ | C14 H26 N3 O9 P | C(CCc1c(nc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RBF | 1 | 1 |
2 | FMN | 0.75641 | 0.876712 |
3 | RS3 | 0.74026 | 0.942029 |
4 | DLZ | 0.546667 | 0.885714 |
5 | 1VY | 0.525641 | 0.871429 |
6 | C3F | 0.523256 | 0.816901 |
7 | LFN | 0.513889 | 0.712121 |
8 | CF4 | 0.511364 | 0.805556 |
9 | FAS | 0.460938 | 0.790123 |
10 | FAD | 0.460938 | 0.790123 |
11 | FAE | 0.457364 | 0.780488 |
12 | UBG | 0.443609 | 0.780488 |
13 | RLP | 0.438202 | 0.833333 |
14 | HDF | 0.423913 | 0.871429 |
15 | FO1 | 0.423913 | 0.871429 |
16 | 9O9 | 0.40404 | 0.818182 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FNR | 0.9203 |
2 | E2X | 0.9078 |
3 | 5UU | 0.9037 |
4 | E2L | 0.9035 |
5 | E2F | 0.9010 |
6 | 5DD | 0.8959 |
7 | 5UV | 0.8939 |
8 | RDL | 0.8932 |
9 | GDW | 0.8928 |
10 | 5UX | 0.8928 |
11 | 1WK | 0.8924 |
12 | NE8 | 0.8911 |
13 | C1L | 0.8901 |
14 | E2R | 0.8854 |
15 | 9HJ | 0.8814 |
16 | AFQ | 0.8785 |
17 | 2Q8 | 0.8780 |
18 | 3NG | 0.8743 |
19 | CQO | 0.8734 |
20 | NEZ | 0.8714 |
21 | FEF | 0.8713 |
22 | 6FV | 0.8707 |
23 | O74 | 0.8690 |
24 | 7L6 | 0.8676 |
25 | AEK | 0.8642 |
26 | 74U | 0.8634 |
27 | FQW | 0.8628 |
28 | CRM | 0.8617 |
29 | AAQ | 0.8607 |
30 | 8OW | 0.8606 |
31 | 7AA | 0.8603 |
32 | Z80 | 0.8598 |
33 | 6FQ | 0.8585 |
34 | 4X4 | 0.8569 |
35 | 7CK | 0.8560 |
36 | CRZ | 0.8544 |
This union binding pocket(no: 1) in the query (biounit: 1kyv.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1kyv.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1kyv.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1kyv.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1kyv.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1kyv.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1kyv.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1kyv.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 1kyv.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 1kyv.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 1kyv.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 1kyv.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 1kyv.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 14) in the query (biounit: 1kyv.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 15) in the query (biounit: 1kyv.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |