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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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DXY | 1 | 1 |
2 | DXZ | 1 | 1 |
3 | 9L9 | 0.494737 | 0.838235 |
4 | U89 | 0.487805 | 0.722892 |
5 | NHS | 0.475728 | 0.724638 |
6 | GHC | 0.448598 | 0.710526 |
7 | 3Y9 | 0.443396 | 0.726027 |
8 | GHW | 0.443396 | 0.72 |
9 | LYA | 0.442308 | 0.736111 |
10 | LYB | 0.441441 | 0.726027 |
11 | 3YA | 0.422018 | 0.716216 |
12 | 29C | 0.421053 | 0.693333 |
13 | 29D | 0.421053 | 0.693333 |
14 | 28Z | 0.421053 | 0.693333 |
15 | 83A | 0.418182 | 0.706667 |
16 | FGD | 0.411215 | 0.694444 |
17 | DDF | 0.405405 | 0.805556 |
18 | 21V | 0.405405 | 0.805556 |
19 | THG | 0.401786 | 0.777778 |
20 | 3YC | 0.401786 | 0.72973 |
21 | 1YJ | 0.401786 | 0.777778 |
22 | 1YA | 0.4 | 0.746667 |
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 |