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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 271 families. | |||||
1 | 4BZ8 | - | J38 | C10 H10 N2 O3 S | C[C@@H]1C(.... |
2 | 6HQY | Kd = 367 nM | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
3 | 4BZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
4 | 6HU2 | ic50 = 1260 nM | T34 | C15 H16 N2 O2 | Cc1ccc(cc1.... |
5 | 6HU0 | ic50 = 122 nM | T86 | C15 H12 Cl2 N2 O4 | COc1ccc(cc.... |
6 | 4CQF | - | 9Z8 | C14 H20 N2 O2 S | c1ccc(cc1).... |
7 | 6HTG | ic50 = 67 nM | T61 | C14 H11 Cl N2 O3 | c1ccc(cc1).... |
8 | 6GX3 | ic50 = 250 nM | FF2 | C9 H6 Cl N O2 S | c1cc2c(cc(.... |
9 | 6GXU | ic50 = 180 nM | FG8 | C15 H12 Cl N O2 S | c1ccc(c(c1.... |
10 | 6HTI | ic50 = 97 nM | GQW | C16 H11 Cl N2 O3 S | c1cc2ccsc2.... |
11 | 6HSG | - | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
12 | 6TLD | Kd = 4.4 uM | NK5 | C9 H8 N4 O2 | c1ccc(cc1).... |
13 | 6HT8 | ic50 = 190 nM | GQE | C15 H14 N2 O4 | COc1ccc(cc.... |
14 | 6HU1 | ic50 = 191 nM | GT2 | C14 H9 Cl3 N2 O3 | c1cc(c(cc1.... |
15 | 6HRQ | Kd = 81.7 nM | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
16 | 6HSF | - | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
17 | 4BZ9 | - | KMY | C9 H6 Cl N O2 S | c1ccc2c(c1.... |
18 | 6HSZ | ic50 = 116 nM | GOW | C15 H14 N2 O3 | Cc1ccc(cc1.... |
19 | 6GXW | ic50 = 440 nM | FGN | C16 H13 Cl2 N O3 | c1ccc(c(c1.... |
20 | 6FU1 | ic50 = 4.4 uM | E7Q | C16 H19 Cl N2 O4 | CCCCCC(=O).... |
21 | 6GXA | ic50 = 60 nM | TB8 | C9 H8 Cl N O2 | c1ccc(c(c1.... |
22 | 5FUE | ic50 = 468.2 nM | UV4 | C14 H10 N2 O3 | c1ccc(cc1).... |
23 | 6HSH | Kd = 28.4 nM | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
24 | 6HU3 | ic50 = 504 nM | GRZ | C15 H10 Cl F N4 O3 | c1cc(ccc1O.... |
25 | 6HTT | ic50 = 220 nM | GQZ | C14 H12 N2 O3 | c1ccc(cc1).... |
26 | 4BZ6 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
27 | 4BZ5 | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
28 | 6HTZ | ic50 = 183 nM | GRK | C16 H16 N2 O4 | COc1ccc(cc.... |
29 | 6HTH | ic50 = 75 nM | GQN | C21 H18 N2 O4 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 4BZ8 | - | J38 | C10 H10 N2 O3 S | C[C@@H]1C(.... |
2 | 6HQY | Kd = 367 nM | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
3 | 4BZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
4 | 6HU2 | ic50 = 1260 nM | T34 | C15 H16 N2 O2 | Cc1ccc(cc1.... |
5 | 6HU0 | ic50 = 122 nM | T86 | C15 H12 Cl2 N2 O4 | COc1ccc(cc.... |
6 | 4CQF | - | 9Z8 | C14 H20 N2 O2 S | c1ccc(cc1).... |
7 | 6HTG | ic50 = 67 nM | T61 | C14 H11 Cl N2 O3 | c1ccc(cc1).... |
8 | 6GX3 | ic50 = 250 nM | FF2 | C9 H6 Cl N O2 S | c1cc2c(cc(.... |
9 | 6GXU | ic50 = 180 nM | FG8 | C15 H12 Cl N O2 S | c1ccc(c(c1.... |
10 | 6HTI | ic50 = 97 nM | GQW | C16 H11 Cl N2 O3 S | c1cc2ccsc2.... |
11 | 6HSG | - | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
12 | 6TLD | Kd = 4.4 uM | NK5 | C9 H8 N4 O2 | c1ccc(cc1).... |
13 | 6HT8 | ic50 = 190 nM | GQE | C15 H14 N2 O4 | COc1ccc(cc.... |
14 | 6HU1 | ic50 = 191 nM | GT2 | C14 H9 Cl3 N2 O3 | c1cc(c(cc1.... |
15 | 6HRQ | Kd = 81.7 nM | GM5 | C16 H14 N4 O2 S | c1ccc(cc1).... |
16 | 6HSF | - | GKW | C17 H16 N2 O3 | COc1ccc(cc.... |
17 | 4BZ9 | - | KMY | C9 H6 Cl N O2 S | c1ccc2c(c1.... |
18 | 6HSZ | ic50 = 116 nM | GOW | C15 H14 N2 O3 | Cc1ccc(cc1.... |
19 | 6GXW | ic50 = 440 nM | FGN | C16 H13 Cl2 N O3 | c1ccc(c(c1.... |
20 | 6FU1 | ic50 = 4.4 uM | E7Q | C16 H19 Cl N2 O4 | CCCCCC(=O).... |
21 | 6GXA | ic50 = 60 nM | TB8 | C9 H8 Cl N O2 | c1ccc(c(c1.... |
22 | 5FUE | ic50 = 468.2 nM | UV4 | C14 H10 N2 O3 | c1ccc(cc1).... |
23 | 6HSH | Kd = 28.4 nM | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
24 | 6HU3 | ic50 = 504 nM | GRZ | C15 H10 Cl F N4 O3 | c1cc(ccc1O.... |
25 | 6HTT | ic50 = 220 nM | GQZ | C14 H12 N2 O3 | c1ccc(cc1).... |
26 | 4BZ6 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
27 | 4BZ5 | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
28 | 6HTZ | ic50 = 183 nM | GRK | C16 H16 N2 O4 | COc1ccc(cc.... |
29 | 6HTH | ic50 = 75 nM | GQN | C21 H18 N2 O4 | COc1ccc(cc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UV4 | 0.9725 |
2 | T34 | 0.9552 |
3 | GQZ | 0.9423 |
4 | T86 | 0.9324 |
5 | F13 | 0.9261 |
6 | DN8 | 0.9260 |
7 | BRY | 0.9234 |
8 | NZ4 | 0.9192 |
9 | 6FX | 0.9157 |
10 | MT6 | 0.9108 |
11 | LLX | 0.9092 |
12 | GRK | 0.9019 |
13 | 3Q0 | 0.9006 |
14 | 0H5 | 0.8950 |
15 | 6XC | 0.8939 |
16 | FY8 | 0.8934 |
17 | SAK | 0.8929 |
18 | 7VF | 0.8922 |
19 | LU2 | 0.8907 |
20 | AGI | 0.8907 |
21 | NAR | 0.8906 |
22 | QUE | 0.8902 |
23 | T21 | 0.8901 |
24 | JBB | 0.8897 |
25 | 21E | 0.8896 |
26 | 3TI | 0.8892 |
27 | 499 | 0.8889 |
28 | 6B5 | 0.8876 |
29 | 4RG | 0.8868 |
30 | E7E | 0.8865 |
31 | LZ7 | 0.8861 |
32 | L7A | 0.8857 |
33 | XZ1 | 0.8855 |
34 | ML1 | 0.8854 |
35 | 4YF | 0.8834 |
36 | 5PK | 0.8832 |
37 | PJK | 0.8831 |
38 | FSE | 0.8807 |
39 | CHV | 0.8797 |
40 | KMP | 0.8794 |
41 | 6JM | 0.8784 |
42 | 3JC | 0.8781 |
43 | 57D | 0.8777 |
44 | H0V | 0.8776 |
45 | BHF | 0.8765 |
46 | EU2 | 0.8765 |
47 | INR | 0.8764 |
48 | 43G | 0.8761 |
49 | 338 | 0.8760 |
50 | IXM | 0.8760 |
51 | 0RA | 0.8755 |
52 | 3Q1 | 0.8746 |
53 | KVD | 0.8746 |
54 | DUL | 0.8744 |
55 | DFV | 0.8744 |
56 | O9Q | 0.8742 |
57 | 7SB | 0.8737 |
58 | XEV | 0.8737 |
59 | NU3 | 0.8729 |
60 | EMU | 0.8728 |
61 | U4J | 0.8724 |
62 | 0FZ | 0.8720 |
63 | 1V8 | 0.8717 |
64 | GUS | 0.8713 |
65 | 4BG | 0.8711 |
66 | QS4 | 0.8706 |
67 | K4T | 0.8705 |
68 | TVZ | 0.8703 |
69 | 16V | 0.8699 |
70 | U14 | 0.8694 |
71 | 517 | 0.8689 |
72 | 108 | 0.8680 |
73 | U12 | 0.8678 |
74 | K8W | 0.8678 |
75 | A3V | 0.8671 |
76 | DTQ | 0.8667 |
77 | 1VJ | 0.8666 |
78 | SVG | 0.8656 |
79 | GKW | 0.8654 |
80 | EBB | 0.8653 |
81 | NKI | 0.8650 |
82 | 1FL | 0.8646 |
83 | NIF | 0.8646 |
84 | DQH | 0.8642 |
85 | AMP | 0.8631 |
86 | NW1 | 0.8629 |
87 | DDC | 0.8629 |
88 | FZB | 0.8627 |
89 | TCT | 0.8626 |
90 | 8DM | 0.8625 |
91 | 4K2 | 0.8621 |
92 | LVB | 0.8616 |
93 | ADN | 0.8613 |
94 | MRI | 0.8612 |
95 | TVC | 0.8612 |
96 | IPJ | 0.8607 |
97 | 43J | 0.8605 |
98 | B4L | 0.8593 |
99 | IRH | 0.8591 |
100 | EEY | 0.8590 |
101 | HAN | 0.8588 |
102 | 4QX | 0.8583 |
103 | LVE | 0.8577 |
104 | KXN | 0.8546 |
This union binding pocket(no: 1) in the query (biounit: 6gxa.bio4) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6gxa.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6gxa.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6gxa.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |