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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 3 families. | |||||
1 | 4ZYY | Ki = 9 nM | 3YC | C20 H23 N5 O6 S | c1c(csc1CC.... |
2 | 4ZYU | Ki = 1067 nM | 3YA | C22 H24 N4 O6 S | c1cc(ccc1C.... |
3 | 4ZZ1 | Ki = 13 nM | 3YF | C19 H21 N5 O6 S | c1c(csc1C(.... |
4 | 1RBM | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
5 | 1RBQ | - | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
6 | 4EW3 | Ki = 0.18 uM | DXZ | C21 H27 N5 O6 S | CS[C@H](CC.... |
7 | 4EW2 | - | DXY | C21 H27 N5 O6 S | CS[C@@H](C.... |
8 | 4ZYT | Ki = 17 nM | 3Y9 | C22 H25 N5 O6 | c1cc(ccc1C.... |
9 | 1RC1 | - | KT3 | C32 H40 F3 N7 O14 | c1cc(ccc1[.... |
10 | 1RBY | - | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
11 | 4ZYW | Ki = 68 nM | G94 | C19 H21 N5 O6 S | c1cc(sc1CC.... |
12 | 4ZZ3 | Ki = 1000 nM | 4DW | C20 H19 N5 O6 | c1cc(ccc1C.... |
13 | 4ZYZ | Ki = 67 nM | 3YD | C18 H25 N5 O6 | c1c([nH]c2.... |
14 | 1MEN | - | GAR | C7 H13 N2 O8 P | C([C@@H]1[.... |
15 | 1RC0 | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
16 | 4ZYX | Ki = 7 nM | 3YB | C20 H23 N5 O6 S | c1c(csc1C(.... |
17 | 4ZZ0 | Ki = 99 nM | 3YE | C19 H27 N5 O6 | c1c([nH]c2.... |
18 | 4ZZ2 | Ki = 9.1 nM | 3YG | C19 H21 N5 O6 S | c1c(csc1CC.... |
19 | 1ZLY | - | GRF | C5 H12 N O7 P | C([C@@H]1[.... |
20 | 5J9F | Ki = 59 nM | 83A | C20 H22 N6 O6 | c1cc(ccc1C.... |
21 | 1NJS | Ki = 15 nM | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
22 | 1RBZ | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
23 | 4ZYV | Ki = 22 nM | G71 | C20 H23 N5 O6 S | c1cc(sc1CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4ZYY | Ki = 9 nM | 3YC | C20 H23 N5 O6 S | c1c(csc1CC.... |
2 | 4ZYU | Ki = 1067 nM | 3YA | C22 H24 N4 O6 S | c1cc(ccc1C.... |
3 | 4ZZ1 | Ki = 13 nM | 3YF | C19 H21 N5 O6 S | c1c(csc1C(.... |
4 | 1RBM | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
5 | 1RBQ | - | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
6 | 4EW3 | Ki = 0.18 uM | DXZ | C21 H27 N5 O6 S | CS[C@H](CC.... |
7 | 4EW2 | - | DXY | C21 H27 N5 O6 S | CS[C@@H](C.... |
8 | 4ZYT | Ki = 17 nM | 3Y9 | C22 H25 N5 O6 | c1cc(ccc1C.... |
9 | 1RC1 | - | KT3 | C32 H40 F3 N7 O14 | c1cc(ccc1[.... |
10 | 1RBY | - | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
11 | 4ZYW | Ki = 68 nM | G94 | C19 H21 N5 O6 S | c1cc(sc1CC.... |
12 | 4ZZ3 | Ki = 1000 nM | 4DW | C20 H19 N5 O6 | c1cc(ccc1C.... |
13 | 4ZYZ | Ki = 67 nM | 3YD | C18 H25 N5 O6 | c1c([nH]c2.... |
14 | 1MEN | - | GAR | C7 H13 N2 O8 P | C([C@@H]1[.... |
15 | 1RC0 | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
16 | 4ZYX | Ki = 7 nM | 3YB | C20 H23 N5 O6 S | c1c(csc1C(.... |
17 | 4ZZ0 | Ki = 99 nM | 3YE | C19 H27 N5 O6 | c1c([nH]c2.... |
18 | 4ZZ2 | Ki = 9.1 nM | 3YG | C19 H21 N5 O6 S | c1c(csc1CC.... |
19 | 1ZLY | - | GRF | C5 H12 N O7 P | C([C@@H]1[.... |
20 | 5J9F | Ki = 59 nM | 83A | C20 H22 N6 O6 | c1cc(ccc1C.... |
21 | 1NJS | Ki = 15 nM | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
22 | 1RBZ | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
23 | 4ZYV | Ki = 22 nM | G71 | C20 H23 N5 O6 S | c1cc(sc1CC.... |
24 | 1GAR | Ki = 100 pM | U89 | C27 H38 N7 O12 P S | c1cc(ccc1C.... |
25 | 1JKX | Ki = 20 uM | 138 | C30 H37 N6 O15 P | c1cc(ccc1C.... |
26 | 1C3E | - | NHR | C23 H22 N4 O8 | c1cc(ccc1[.... |
27 | 1CDE | - | GAR | C7 H13 N2 O8 P | C([C@@H]1[.... |
28 | 1C2T | Ki = 260 nM | NHS | C23 H22 N4 O8 | c1cc(ccc1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IRN | 0.9480 |
2 | AIR | 0.9359 |
3 | UP6 | 0.9197 |
4 | FDQ | 0.9195 |
5 | PSU | 0.9187 |
6 | U5P | 0.9171 |
7 | IR8 | 0.9165 |
8 | C5P | 0.9159 |
9 | C | 0.9132 |
10 | DCM | 0.9077 |
11 | U | 0.9075 |
12 | UMP | 0.9071 |
13 | RVP | 0.9041 |
14 | RI2 | 0.9035 |
15 | AHG | 0.9018 |
16 | IR9 | 0.8981 |
17 | AFP | 0.8980 |
18 | C2R | 0.8970 |
19 | FN5 | 0.8964 |
20 | AMZ | 0.8961 |
21 | H2U | 0.8960 |
22 | MZP | 0.8953 |
23 | FBP | 0.8941 |
24 | DC | 0.8925 |
25 | CAR | 0.8918 |
26 | UMC | 0.8914 |
27 | 6PG | 0.8907 |
28 | JAA | 0.8886 |
29 | DDN | 0.8867 |
30 | DU | 0.8867 |
31 | 16B | 0.8859 |
32 | U6M | 0.8853 |
33 | DOC | 0.8826 |
34 | RUB | 0.8807 |
35 | DUS | 0.8804 |
36 | 16G | 0.8782 |
37 | TMP | 0.8772 |
38 | BMP | 0.8769 |
39 | O7E | 0.8767 |
40 | U4S | 0.8756 |
41 | S5P | 0.8747 |
42 | BMQ | 0.8747 |
43 | 9XZ | 0.8702 |
44 | NUP | 0.8695 |
45 | PFU | 0.8693 |
46 | SNJ | 0.8692 |
47 | CH5 | 0.8688 |
48 | 5BU | 0.8687 |
49 | SW4 | 0.8683 |
50 | NGS | 0.8681 |
51 | AMP | 0.8673 |
52 | G16 | 0.8665 |
53 | 9L3 | 0.8637 |
54 | FDM | 0.8631 |
55 | TKW | 0.8603 |
56 | U2S | 0.8598 |
57 | IMP | 0.8597 |
58 | U1S | 0.8583 |
59 | U3S | 0.8580 |
60 | Q8D | 0.8575 |
61 | F1X | 0.8548 |
62 | M1C | 0.8547 |
63 | 5IU | 0.8542 |
64 | CIL | 0.8525 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1rc0.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1rc0.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6V2T | FOL | 36.3636 |