- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 14 families. | |||||
1 | 5L2T | - | 6ZZ | C23 H30 N8 O | CN(C)C(=O).... |
2 | 5L2S | - | 6ZV | C27 H32 F2 N8 | CCN1CCN(CC.... |
3 | 4AUA | ic50 = 7.2 uM | 4AU | C12 H9 N3 O | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3PXQ | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
2 | 2R3N | ic50 = 70 nM | SCZ | C21 H19 N5 | c1ccc(cc1).... |
3 | 1H0V | - | UN4 | C10 H12 N6 O2 | c1[nH]c2c(.... |
4 | 4NJ3 | Kd = 0.3 uM | 2KD | C27 H21 Cl N2 O6 | COC(=O)[C@.... |
5 | 1JSV | - | U55 | C10 H11 N5 O2 S | c1cc(ccc1N.... |
6 | 1OIQ | ic50 = 2.9 uM | HDU | C14 H13 N5 O | Cc1c(n2ccc.... |
7 | 2W17 | ic50 = 0.002 uM | I19 | C24 H30 F N7 O | Cc1ncc(n1C.... |
8 | 2VTP | ic50 = 0.003 uM | LZ9 | C17 H11 F3 N4 O2 | c1cc(c(c(c.... |
9 | 1JVP | ic50 = 1.6 uM | LIG | C15 H11 N3 | c1ccc-2c(c.... |
10 | 1FVT | - | 106 | C14 H11 Br N4 O3 S | c1cc(ccc1N.... |
11 | 4KD1 | - | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
12 | 3LE6 | ic50 = 0.035 uM | 2BZ | C17 H10 Cl N5 O2 | Cc1c-2nc(c.... |
13 | 2VTI | ic50 = 0.66 uM | LZ3 | C14 H12 N4 O3 S | c1ccc2c(c1.... |
14 | 3LFS | Ki = 2.5 uM | A07 | C17 H16 Cl N3 O | CCCC(=O)Nc.... |
15 | 1PXI | - | CK1 | C8 H5 Cl2 N3 S | c1cnc(nc1c.... |
16 | 4LYN | - | 1YG | C20 H23 N3 O2 S2 | C[C@@H](c1.... |
17 | 1YKR | ic50 = 0.56 uM | 628 | C20 H14 Cl2 N4 O3 S | c1cc(c(c(c.... |
18 | 1PXN | Ki = 0.07 uM | CK6 | C15 H15 N5 O S | Cc1c(sc(n1.... |
19 | 2R3J | ic50 = 10 nM | SCJ | C18 H14 Br N5 | c1ccc(cc1).... |
20 | 6Q3F | - | HEW | C5 H5 Br N2 | c1cnc(cc1B.... |
21 | 3IG7 | ic50 = 9 nM | EFP | C18 H22 N4 O3 | CC(=O)NC1C.... |
22 | 2VTS | ic50 = 0.03 uM | LZC | C16 H23 N7 | CC(C)Nc1cc.... |
23 | 1P2A | ic50 = 12 nM | 5BN | C17 H15 F N4 O | c1cc([nH]c.... |
24 | 2BHE | ic50 = 1 uM | BRY | C16 H9 Br N2 O2 | c1ccc2c(c1.... |
25 | 3UNK | ic50 = 15 uM | 0BY | C17 H13 Cl N4 O2 | c1ccc(c(c1.... |
26 | 2VTQ | ic50 = 0.14 uM | LZA | C16 H17 F2 N5 O2 | c1cc(c(c(c.... |
27 | 2C68 | ic50 = 1.8 uM | CT6 | C18 H15 Br N5 | c1cc(cc(c1.... |
28 | 3TIZ | - | 3TI | C17 H13 N O2 | c1ccc2c(c1.... |
29 | 3PXY | ic50 = 5.9 uM | JWS | C10 H11 N5 O2 | COc1ccc(c(.... |
30 | 2R3M | ic50 = 10 nM | SCX | C19 H17 F2 N7 | CCc1cnn2c1.... |
31 | 6HOT | - | CIY | C10 H10 O3 | COc1cc(ccc.... |
32 | 5ORJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 3MB6 | ic50 = 100 nM | 01I | C16 H8 O6 | c1cc2c(cc(.... |
34 | 5M4F | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
35 | 6A1C | - | 9NX | C17 H15 Br N4 O2 S | COc1cc(c(c.... |
36 | 6EHU | - | B5E | C25 H24 F3 N3 | CCc1ccccc1.... |
37 | 5CVH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
38 | 3BQC | ic50 ~ 2 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
39 | 6L22 | - | E3U | C16 H12 O6 | c1cc(c(c2c.... |
40 | 5N9K | Ki = 0.46 nM | 8QK | C20 H13 Cl2 N O4 | COc1ccc(cc.... |
41 | 5OTQ | - | AUH | C25 H27 N3 O | CCc1ccccc1.... |
42 | 5CU2 | - | 54G | C8 H8 O3 | Cc1ccc(c(c.... |
43 | 5MO5 | - | 4IH | C17 H21 Cl N2 O2 S | CS(=O)(=O).... |
44 | 5M4I | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
45 | 5MP8 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
46 | 6HOR | - | GJK | C11 H12 O3 | CC(=O)/C=C.... |
47 | 4UZH | ic50 = 9800 nM | JVE | C15 H13 F N4 O | c1ccc(c(c1.... |
48 | 6R49 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
49 | 6R4A | - | JRT | C17 H17 N3 O | c1ccc(cc1).... |
50 | 5OS1 | Kd = 494 uM | A7H | C10 H11 N O S | CCOc1ccc2c.... |
51 | 2C6E | - | HPM | C28 H31 N7 O4 | COc1cc2c(c.... |
52 | 3H0Y | ic50 = 0.006 uM | 48B | C23 H17 Cl F N5 O2 | c1ccc(c(c1.... |
53 | 4B0G | ic50 = 0.015 uM | VEK | C19 H21 Br N8 O | Cc1cc(no1).... |
54 | 4JBP | ic50 = 41 nM | YPH | C34 H36 N6 O4 | c1ccc(cc1).... |
55 | 3H10 | - | 97B | C30 H25 Cl F2 N6 O | CN1CCN(CC1.... |
56 | 6VPM | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
57 | 5Y9M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
58 | 7A1B | ic50 = 2.36 uM | QXW | C5 H2 Br2 N4 | c1c2c(nc(c.... |
59 | 7A2H | - | QX2 | C6 H2 Br3 N3 | c1[nH]c2c(.... |
60 | 1M2P | - | HNA | C14 H7 N O6 | c1cc2c(c(c.... |
61 | 1LPU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
62 | 2QC6 | ic50 = 0.1 uM | G12 | C10 H6 Br2 O3 | CC1=C(C(=O.... |
63 | 4ANM | ic50 = 28 nM | WUL | C15 H14 Br N3 O3 | c1cc2c(cc1.... |
64 | 1DAW | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
65 | 4RLK | - | E91 | C21 H14 N2 O2 | c1ccc2c(c1.... |
66 | 2OXD | - | K32 | C7 H2 Br4 N2 O | c12c(c(c(c.... |
67 | 1JKL | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
68 | 3F5G | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
69 | 5AUZ | ic50 = 98 uM | GEN | C15 H10 O5 | c1cc(ccc1C.... |
70 | 4FG9 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
71 | 5L2T | - | 6ZZ | C23 H30 N8 O | CN(C)C(=O).... |
72 | 3GC0 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
73 | 3MFU | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
74 | 3C0H | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
75 | 3C0I | - | 3AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
76 | 3MFS | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
77 | 5OMY | - | 9YE | C23 H25 N O3 | CC(C)n1c2c.... |
78 | 2YAB | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
79 | 2YAA | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
80 | 4JR7 | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
No: | Ligand | Similarity coefficient |
---|