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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 4LHM | Ki = 0.68 mM | AZZ | C10 H13 N5 O4 | CC1=CN(C(=.... |
2 | 4YYY | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4LHM | Ki = 0.68 mM | AZZ | C10 H13 N5 O4 | CC1=CN(C(=.... |
2 | 4YYY | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
3 | 1BRW | - | URA | C4 H4 N2 O2 | C1=CNC(=O).... |
4 | 2WK6 | Ki = 0.48 mM | IUR | C4 H3 I N2 O2 | C1=C(C(=O).... |
5 | 2J0F | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
6 | 1UOU | Ki = 20 nM | CMU | C9 H11 Cl N4 O2 | [H]/N=C1/C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AZZ | 1 | 1 |
2 | ATM | 0.728571 | 0.88 |
3 | AZD | 0.693333 | 0.868421 |
4 | ABT | 0.621951 | 0.846154 |
5 | THM | 0.609375 | 0.857143 |
6 | LLT | 0.609375 | 0.857143 |
7 | T3P | 0.549296 | 0.824324 |
8 | 0DN | 0.544118 | 0.816901 |
9 | TMP | 0.5 | 0.789474 |
10 | TXS | 0.486842 | 0.797297 |
11 | T3S | 0.474359 | 0.797297 |
12 | FDM | 0.474359 | 0.759494 |
13 | NYM | 0.474359 | 0.792208 |
14 | TYD | 0.469136 | 0.779221 |
15 | THP | 0.468354 | 0.8 |
16 | TBD | 0.457831 | 0.772152 |
17 | Z5A | 0.452174 | 0.785714 |
18 | TTP | 0.447059 | 0.779221 |
19 | ATY | 0.436782 | 0.759494 |
20 | 2DT | 0.428571 | 0.789474 |
21 | TTP MG | 0.425287 | 0.824324 |
22 | DAU | 0.412371 | 0.772152 |
23 | WMJ | 0.408602 | 0.8125 |
24 | 9RC | 0.4 | 0.771084 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UM3 | 0.9273 |
2 | 5BT | 0.9225 |
3 | SCT | 0.9144 |
4 | B86 | 0.9143 |
5 | MCY | 0.9112 |
6 | 5UD | 0.9105 |
7 | F01 | 0.9095 |
8 | EZN | 0.9086 |
9 | DUR | 0.9066 |
10 | M0Y | 0.9055 |
11 | U3P | 0.9050 |
12 | 3D1 | 0.9048 |
13 | DCZ | 0.9023 |
14 | SGP | 0.9010 |
15 | UA3 | 0.8991 |
16 | AHU | 0.8989 |
17 | ZAS | 0.8980 |
18 | THU | 0.8946 |
19 | 2GD | 0.8943 |
20 | ADN | 0.8933 |
21 | TMC | 0.8916 |
22 | 5MD | 0.8902 |
23 | QQX | 0.8901 |
24 | B2T | 0.8899 |
25 | URI | 0.8891 |
26 | TH4 | 0.8876 |
27 | GMP | 0.8861 |
28 | 3AD | 0.8859 |
29 | 2GE | 0.8852 |
30 | AQ1 | 0.8841 |
31 | 1SF | 0.8829 |
32 | 5BX | 0.8827 |
33 | MTA | 0.8826 |
34 | 101 | 0.8823 |
35 | IAG | 0.8819 |
36 | NWQ | 0.8815 |
37 | 5CD | 0.8815 |
38 | 3RP | 0.8810 |
39 | MN QAY | 0.8793 |
40 | MDR | 0.8785 |
41 | FHI | 0.8783 |
42 | 6DE | 0.8782 |
43 | ACK | 0.8782 |
44 | 1XS | 0.8777 |
45 | 5AE | 0.8770 |
46 | NWW | 0.8767 |
47 | 28A | 0.8757 |
48 | 272 | 0.8750 |
49 | 5N5 | 0.8742 |
50 | QQY | 0.8741 |
51 | UA2 | 0.8738 |
52 | WOE | 0.8731 |
53 | IMH | 0.8717 |
54 | AV4 | 0.8716 |
55 | ZYW | 0.8698 |
56 | 1ZC | 0.8696 |
57 | ZEB | 0.8695 |
58 | IK1 | 0.8691 |
59 | M0Z | 0.8688 |
60 | 683 | 0.8674 |
61 | RPP | 0.8670 |
62 | 6J3 | 0.8668 |
63 | 5FD | 0.8657 |
64 | CJZ | 0.8653 |
65 | TCL | 0.8650 |
66 | MUK | 0.8648 |
67 | UMP | 0.8647 |
68 | PRH | 0.8637 |
69 | X11 | 0.8630 |
70 | GA2 | 0.8612 |
71 | XEV | 0.8606 |
72 | 2FA | 0.8600 |
73 | BBY | 0.8580 |
74 | 7VF | 0.8577 |
75 | 5I5 | 0.8574 |
76 | 5JT | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 4lhm.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4lhm.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |