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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 29 families. | |||||
1 | 1BJG | - | TMF | C20 H21 N7 O6 | c1cc(ccc1C.... |
2 | 2VET | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
3 | 2FTO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
4 | 1TYS | Kd = 3.27 uM | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
5 | 2BBQ | - | PFG | C39 H44 N8 O15 | C#CC[N@](C.... |
6 | 1BID | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
7 | 4LRR | Ki = 6 uM | CF9 | C18 H9 N O6 | c1cc2c(ccc.... |
8 | 1AOB | - | DDU | C9 H12 N2 O4 | C[C@@H]1[C.... |
9 | 1F4E | Ki = 1.1 mM | TPR | C12 H15 N O4 S | Cc1ccc(cc1.... |
10 | 1BDU | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
11 | 1TRG | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
12 | 2TSC | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
13 | 2KCE | Ki = 0.67 uM | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4E28 | Ki = 1.3 uM | 0MZ | C19 H15 F3 N4 O3 S | c1ccc(c(c1.... |
2 | 6QXG | Ki = 1.1 nM | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
3 | 6QXH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
4 | 1LCA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
5 | 1VZC | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
6 | 1LCB | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
7 | 1BO7 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
8 | 2G8A | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
9 | 1JMI | Kd = 0.87 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
10 | 1VZE | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
11 | 1BO8 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
12 | 1BPJ | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
13 | 1VZA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 1NJE | Kd = 160 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
15 | 1JMH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
16 | 1TSL | Ki = 0.7 uM | A15 | C24 H14 Cl2 O4 | c1cc2cccc3.... |
17 | 2G86 | Kd = 0.44 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
18 | 1VZD | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
19 | 1NJD | Kd = 2.7 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
20 | 1BP6 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
21 | 1TVV | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
22 | 1TVU | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
23 | 1NJC | Kd = 2.8 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
24 | 1LCE | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
25 | 1TSY | Kd = 11 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
26 | 1BP0 | Kd = 4 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
27 | 1NJA | Kd = 0.49 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
28 | 1VZB | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
29 | 2G89 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
30 | 1TSX | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
31 | 1JMF | Kd = 1.7 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
32 | 1JMG | Kd = 0.85 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
33 | 1TVW | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
34 | 2G8D | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
35 | 1BJG | - | TMF | C20 H21 N7 O6 | c1cc(ccc1C.... |
36 | 2VET | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
37 | 2FTO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
38 | 1TYS | Kd = 3.27 uM | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
39 | 2BBQ | - | PFG | C39 H44 N8 O15 | C#CC[N@](C.... |
40 | 1BID | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
41 | 4LRR | Ki = 6 uM | CF9 | C18 H9 N O6 | c1cc2c(ccc.... |
42 | 1AOB | - | DDU | C9 H12 N2 O4 | C[C@@H]1[C.... |
43 | 1F4E | Ki = 1.1 mM | TPR | C12 H15 N O4 S | Cc1ccc(cc1.... |
44 | 1BDU | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
45 | 1TRG | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
46 | 2TSC | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
47 | 2KCE | Ki = 0.67 uM | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
48 | 5H39 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
49 | 5H3A | - | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
50 | 1F28 | Ki = 16 nM | F89 | C27 H24 N4 O6 | CC1=Nc2ccc.... |
51 | 6PF6 | - | OEJ | C22 H17 N5 O6 | c1cc(ccc1C.... |
52 | 5X66 | Kd = 1.19 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
53 | 1I00 | Ki = 0.46 uM | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
54 | 1HVY | - | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
55 | 6PF3 | - | OE7 | C21 H16 Cl N5 O4 | c1cc(ccc1C.... |
56 | 6PF5 | - | OED | C23 H21 N5 O5 | COc1ccc(c(.... |
57 | 5X67 | Kd = 1.19 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
58 | 5X5D | Kd = 1.19 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
59 | 2AAZ | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
60 | 6QYA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
61 | 5J7W | Ki = 13 uM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PFG | 1 | 1 |
2 | CB3 | 0.902174 | 0.96875 |
3 | FGD | 0.575472 | 0.861538 |
4 | 1JY | 0.473684 | 0.84058 |
5 | TLL | 0.4375 | 0.779221 |
6 | 29D | 0.435484 | 0.852941 |
7 | 29C | 0.435484 | 0.852941 |
8 | 28Z | 0.435484 | 0.852941 |
9 | LYB | 0.430894 | 0.811594 |
10 | DZF | 0.425 | 0.835821 |
11 | 3YA | 0.413223 | 0.774648 |
12 | NHS | 0.411765 | 0.84375 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2kce.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2kce.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |