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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 4EF4 | Kd = 4.42 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
2 | 5BQX | Kd = 1.6 uM | 4UR | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
3 | 6CY7 | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 6CFF | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
5 | 4KSY | Kd = 3.79 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
6 | 4LOI | Kd = 0.17 uM | 1YC | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
7 | 6XNP | ic50 = 7.8 uM | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
8 | 6S26 | - | KT2 | C21 H25 N9 O13 P2 | c1cn(c2c1c.... |
9 | 6DXG | ic50 = 14 uM | HGJ | C23 H24 N6 O3 | CCn1c(cc(n.... |
10 | 6DXL | Kd = 1.6 nM | HG4 | C34 H38 N12 O4 | CCn1c(cc(n.... |
11 | 6DNK | - | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
12 | 4EMT | Kd = 4.63 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
13 | 4QXO | Kd = 3.12 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
14 | 4QXQ | Kd = 1.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
15 | 4QXR | Kd = 0.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
16 | 4LOH | Kd = 5.3 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6IYF | Kd ~ 6 uM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
18 | 6A05 | Kd = 12.8 nM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
19 | 6A04 | Kd ~ 6 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
20 | 6A06 | Kd = 3.4 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
21 | 4KBY | Ka = 5390000 M^-1 | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
22 | 4LOK | Kd = 0.26 uM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
23 | 4LOL | Kd = 0.49 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
24 | 6XNN | - | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
25 | 5GRM | Kd = 0.12 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4EF4 | Kd = 4.42 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
2 | 5BQX | Kd = 1.6 uM | 4UR | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
3 | 6CY7 | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 6CFF | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
5 | 4KSY | Kd = 3.79 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
6 | 4LOI | Kd = 0.17 uM | 1YC | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
7 | 6XNP | ic50 = 7.8 uM | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
8 | 6S26 | - | KT2 | C21 H25 N9 O13 P2 | c1cn(c2c1c.... |
9 | 6DXG | ic50 = 14 uM | HGJ | C23 H24 N6 O3 | CCn1c(cc(n.... |
10 | 6DXL | Kd = 1.6 nM | HG4 | C34 H38 N12 O4 | CCn1c(cc(n.... |
11 | 6DNK | - | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
12 | 4EMT | Kd = 4.63 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
13 | 4QXO | Kd = 3.12 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
14 | 4QXQ | Kd = 1.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
15 | 4QXR | Kd = 0.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
16 | 4LOH | Kd = 5.3 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6IYF | Kd ~ 6 uM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
18 | 6A05 | Kd = 12.8 nM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
19 | 6A04 | Kd ~ 6 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
20 | 6A06 | Kd = 3.4 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
21 | 4KBY | Ka = 5390000 M^-1 | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
22 | 4LOK | Kd = 0.26 uM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
23 | 4LOL | Kd = 0.49 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
24 | 6XNN | - | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
25 | 5CFM | Kd = 50 nM | 4BW | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
26 | 5CFQ | Kd < 1 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
27 | 5CFL | Kd = 15 nM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
28 | 5CFP | - | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
29 | 6UKZ | ic50 = 4 nM | QBG | C28 H25 F O10 S2 | COc1cc2c(c.... |
30 | 6UKV | ic50 = 1.5 nM | QB1 | C29 H28 O10 S2 | COc1cc2cc(.... |
31 | 6UKM | - | QAD | C14 H14 O5 S | COc1cc2cc(.... |
32 | 6UKW | - | QB7 | C29 H27 F O10 S2 | COc1cc2cc(.... |
33 | 6UKX | ic50 = 17 nM | QBA | C29 H28 O10 S2 | COc1cc2cc(.... |
34 | 6UKY | ic50 = 10 nM | QBD | C29 H28 O8 S2 | COc1cc(c2c.... |
35 | 6UL0 | ic50 = 16 nM | QBJ | C29 H26 O9 S2 | COc1cc2c(c.... |
36 | 6UKU | ic50 = 8 nM | QAV | C29 H28 O8 S2 | COc1cc2c(c.... |
37 | 5GRM | Kd = 0.12 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1YE | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AO6 | 0.9279 |
2 | 3N4 | 0.9112 |
3 | Z73 | 0.9005 |
4 | BFH | 0.9003 |
5 | EYA | 0.8979 |
6 | T28 | 0.8973 |
7 | 0JP | 0.8951 |
8 | R6T | 0.8918 |
9 | EYM | 0.8916 |
10 | HNA | 0.8910 |
11 | HC8 | 0.8893 |
12 | GRI | 0.8885 |
13 | VKE | 0.8866 |
14 | MNX | 0.8849 |
15 | TXQ | 0.8827 |
16 | 96U | 0.8825 |
17 | HDU | 0.8800 |
18 | 372 | 0.8796 |
19 | JY4 | 0.8794 |
20 | 3E2 | 0.8783 |
21 | 5M8 | 0.8779 |
22 | 19E | 0.8774 |
23 | 8DA | 0.8760 |
24 | GO1 | 0.8750 |
25 | JAK | 0.8741 |
26 | EPK | 0.8734 |
27 | A0O | 0.8730 |
28 | 537 | 0.8725 |
29 | 64C | 0.8700 |
30 | 982 | 0.8689 |
31 | 3J8 | 0.8688 |
32 | XM5 | 0.8672 |
33 | 772 | 0.8658 |
34 | N8M | 0.8654 |
35 | EY7 | 0.8646 |
36 | GLC GAL | 0.8634 |
37 | CB1 | 0.8626 |
38 | LY2 | 0.8621 |
39 | ACE TRP | 0.8621 |
40 | MNY | 0.8604 |
41 | 774 | 0.8596 |
42 | 2AN | 0.8572 |
43 | TWB | 0.8567 |
44 | LFN | 0.8538 |
45 | II4 | 0.8530 |
46 | HMD | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 6dxl.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |