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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 1 families. | |||||
1 | 2E8X | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
2 | 2ZEV | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 2Z4V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
4 | 2E8W | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
5 | 2Z7H | Ki = 115 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
6 | 2Z4Y | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
7 | 2Z4W | ic50 = 0.98 uM | 749 | C21 H38 O6 P2 | CC(=CCC/C(.... |
8 | 2E93 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
9 | 2E8U | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
10 | 2Z4X | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
11 | 2Z50 | ic50 = 11.22 uM | 028 | C7 H18 O7 P2 | CCCCCCC(O).... |
12 | 2Z7I | ic50 = 0.1 uM | 742 | C16 H38 O6 P3 | CCCCCCCCCC.... |
13 | 2E94 | - | 364 | C19 H20 N O7 P2 | c1ccc(cc1).... |
14 | 2E91 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
15 | 2ZEU | - | B71 | C17 H32 N O7 P2 | CCCCCCCCCC.... |
16 | 2Z4Z | ic50 = 1.86 uM | SC0 | C17 H34 O6 P2 | CCCCCC=CCC.... |
17 | 2E92 | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
18 | 2E8V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
19 | 2Z52 | ic50 = 2.69 uM | H23 | C12 H28 O7 P2 | CCCCCCCCCC.... |
20 | 2E8T | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
21 | 2Z78 | - | H86 | C23 H34 F2 N O7 P2 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2E8X | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
2 | 2ZEV | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 2Z4V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
4 | 2E8W | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
5 | 2Z7H | Ki = 115 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
6 | 2Z4Y | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
7 | 2Z4W | ic50 = 0.98 uM | 749 | C21 H38 O6 P2 | CC(=CCC/C(.... |
8 | 2E93 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
9 | 2E8U | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
10 | 2Z4X | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
11 | 2Z50 | ic50 = 11.22 uM | 028 | C7 H18 O7 P2 | CCCCCCC(O).... |
12 | 2Z7I | ic50 = 0.1 uM | 742 | C16 H38 O6 P3 | CCCCCCCCCC.... |
13 | 2E94 | - | 364 | C19 H20 N O7 P2 | c1ccc(cc1).... |
14 | 2E91 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
15 | 2ZEU | - | B71 | C17 H32 N O7 P2 | CCCCCCCCCC.... |
16 | 2Z4Z | ic50 = 1.86 uM | SC0 | C17 H34 O6 P2 | CCCCCC=CCC.... |
17 | 2E92 | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
18 | 2E8V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
19 | 2Z52 | ic50 = 2.69 uM | H23 | C12 H28 O7 P2 | CCCCCCCCCC.... |
20 | 2E8T | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
21 | 2Z78 | - | H86 | C23 H34 F2 N O7 P2 | CCCCCCCCCC.... |
22 | 6R4V | Kd = 1.74 uM | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M0N | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NI9 | 0.9446 |
2 | IMB | 0.9331 |
3 | 1BY | 0.9192 |
4 | RIS | 0.9081 |
5 | HRX | 0.8990 |
6 | ARJ | 0.8948 |
7 | NOC | 0.8948 |
8 | RVB | 0.8910 |
9 | FM2 | 0.8884 |
10 | C6J | 0.8852 |
11 | TBN | 0.8842 |
12 | FMB | 0.8818 |
13 | ZIQ | 0.8813 |
14 | ADN | 0.8792 |
15 | TAL | 0.8790 |
16 | C0Y | 0.8777 |
17 | RBE | 0.8762 |
18 | 3L1 | 0.8743 |
19 | 5FD | 0.8728 |
20 | FM1 | 0.8727 |
21 | 5F1 | 0.8716 |
22 | RVD | 0.8714 |
23 | Y3J | 0.8714 |
24 | X29 | 0.8709 |
25 | FMC | 0.8704 |
26 | PB6 | 0.8693 |
27 | IMH | 0.8689 |
28 | 3D1 | 0.8688 |
29 | NOS | 0.8688 |
30 | PUR | 0.8685 |
31 | MDR | 0.8684 |
32 | TRP | 0.8679 |
33 | H7S | 0.8675 |
34 | 476 | 0.8663 |
35 | CBQ | 0.8656 |
36 | DNB | 0.8651 |
37 | 5MD | 0.8646 |
38 | MS8 | 0.8645 |
39 | AD3 | 0.8633 |
40 | 3AD | 0.8633 |
41 | LTN | 0.8597 |
42 | ID8 | 0.8590 |
43 | 5AD | 0.8590 |
44 | 0GA | 0.8588 |
45 | XYA | 0.8579 |
46 | PRH | 0.8570 |
47 | 5CD | 0.8569 |
48 | DTR | 0.8568 |
49 | RVC | 0.8561 |
50 | MTA | 0.8559 |
51 | AFX | 0.8557 |
52 | W23 | 0.8552 |
53 | 2FA | 0.8550 |
54 | IFM MAN | 0.8547 |
55 | DUR | 0.8506 |
This union binding pocket(no: 1) in the query (biounit: 2z7i.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |