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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 6LIO | Kd = 64.4 nM | EH3 | C30 H34 Cl N3 O9 S | CS(=O)(=O).... |
4 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
5 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
6 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
7 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
8 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
9 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
10 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
11 | 5J6A | Kd = 22 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
12 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
14 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
16 | 6LIL | - | EGX | C22 H19 N3 O2 | c1ccc2c(c1.... |
17 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
18 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
19 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
20 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
21 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 6LIO | Kd = 64.4 nM | EH3 | C30 H34 Cl N3 O9 S | CS(=O)(=O).... |
4 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
5 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
6 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
7 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
8 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
9 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
10 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
11 | 5J6A | Kd = 22 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
12 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
14 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
16 | 6LIL | - | EGX | C22 H19 N3 O2 | c1ccc2c(c1.... |
17 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
18 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
19 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
20 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
21 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PFT | 0.9518 |
2 | PV1 | 0.9242 |
3 | TCT | 0.9202 |
4 | 9ME | 0.9116 |
5 | CHV | 0.9103 |
6 | BGK | 0.9077 |
7 | 2OH | 0.9066 |
8 | CHJ | 0.9045 |
9 | A06 | 0.9032 |
10 | RO3 | 0.9031 |
11 | 5R9 | 0.9028 |
12 | 0QX | 0.9024 |
13 | 9MK | 0.9009 |
14 | G50 | 0.8989 |
15 | F91 | 0.8983 |
16 | 9RK | 0.8978 |
17 | 4EU | 0.8961 |
18 | CW6 | 0.8940 |
19 | H48 | 0.8933 |
20 | DP4 | 0.8930 |
21 | C4F | 0.8929 |
22 | DBE | 0.8920 |
23 | 0SL | 0.8904 |
24 | SFY | 0.8893 |
25 | 43J | 0.8889 |
26 | 4YE | 0.8889 |
27 | 08D | 0.8888 |
28 | AX8 | 0.8875 |
29 | 62P | 0.8866 |
30 | VJP | 0.8852 |
31 | CWP | 0.8837 |
32 | 4KN | 0.8837 |
33 | FUL 7KT | 0.8833 |
34 | 20P | 0.8832 |
35 | BFS | 0.8832 |
36 | BZM | 0.8813 |
37 | 0QR | 0.8812 |
38 | RV1 | 0.8804 |
39 | H3W | 0.8804 |
40 | YKN | 0.8793 |
41 | 0SZ | 0.8765 |
42 | 2HI | 0.8758 |
43 | Q8D | 0.8751 |
44 | XDH | 0.8744 |
45 | FT1 | 0.8740 |
46 | L81 | 0.8728 |
47 | WDU | 0.8727 |
48 | QTJ | 0.8721 |
49 | XDI | 0.8720 |
50 | JE7 | 0.8711 |
51 | QRP | 0.8709 |
52 | 5V3 | 0.8709 |
53 | 9JH | 0.8709 |
54 | 2L1 | 0.8703 |
55 | 6Q9 | 0.8701 |
56 | IXE | 0.8695 |
57 | 5F4 | 0.8694 |
58 | 6WS | 0.8684 |
59 | CMP | 0.8681 |
60 | OUL | 0.8675 |
61 | XYS XYS | 0.8670 |
62 | 9W7 | 0.8666 |
63 | M62 | 0.8656 |
64 | LVY | 0.8649 |
65 | QTV | 0.8646 |
66 | Q8G | 0.8645 |
67 | L23 | 0.8624 |
68 | ZW2 | 0.8613 |
69 | 4RV | 0.8603 |
70 | XJG | 0.8600 |
71 | 9HK | 0.8591 |
72 | RP1 | 0.8590 |
73 | IXF | 0.8586 |
74 | 83S | 0.8580 |
75 | SP1 | 0.8573 |
76 | 7PS | 0.8566 |
77 | DCN | 0.8565 |
78 | 1HX | 0.8564 |
79 | VHD | 0.8560 |
80 | 27N | 0.8559 |
81 | MQS | 0.8556 |
82 | D8X | 0.8545 |
83 | 43G | 0.8542 |
This union binding pocket(no: 1) in the query (biounit: 5j6a.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5j6a.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |