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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 4QGA | ic50 = 12 nM | 31Z | C24 H23 Cl F N3 O5 | CC1=CN(C(=.... |
2 | 4HLD | ic50 = 0.5 nM | 16T | C22 H22 Cl N3 O6 S | CC1=CN(C(=.... |
3 | 4QGG | ic50 = 1 nM | 32C | C28 H31 Cl F N3 O5 | CC1=CN(C(=.... |
4 | 4QGF | ic50 = 69 nM | 32B | C27 H30 Cl N3 O6 | CC[C@H](c1.... |
5 | 4QG7 | ic50 = 10 nM | 32K | C25 H26 Cl N3 O6 | CC1=CN(C(=.... |
6 | 4QGH | ic50 = 1 nM | 32E | C28 H31 Cl F N3 O5 | CC1=CN(C(=.... |
7 | 4GFD | Ki = 330 pM | 0YB | C29 H34 Br N3 O5 | CC1=CN(C(=.... |
8 | 2CCJ | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
9 | 2CCG | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
10 | 4HDC | ic50 = 1.2 nM | 13Y | C28 H32 Cl N3 O5 | CC1=CN(C(=.... |
11 | 4HEJ | ic50 = 24000 nM | 14D | C24 H24 F3 N3 O3 | CC1=CN(C(=.... |
12 | 4GSY | ic50 = 120 nM | 0Y5 | C25 H24 F3 N3 O5 | CC1=CN(C(=.... |
13 | 4HLC | ic50 = 174 nM | T05 | C24 H25 N3 O7 S | Cc1cccc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2YOH | Ki = 11 uM | WMJ | C17 H19 N5 O7 | CC1=CN(C(=.... |
2 | 2YOF | Ki = 25 uM | 74W | C18 H18 Cl F3 N4 O4 S | CC1=CN(C(=.... |
3 | 2WWF | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
4 | 2YOG | Ki = 31 uM | 74X | C18 H18 Cl F3 N4 O4 S | CC1=CN(C(=.... |
5 | 2V54 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
6 | 4QGF | ic50 = 69 nM | 32B | C27 H30 Cl N3 O6 | CC[C@H](c1.... |
7 | 4QG7 | ic50 = 10 nM | 32K | C25 H26 Cl N3 O6 | CC1=CN(C(=.... |
8 | 4QGH | ic50 = 1 nM | 32E | C28 H31 Cl F N3 O5 | CC1=CN(C(=.... |
9 | 4GFD | Ki = 330 pM | 0YB | C29 H34 Br N3 O5 | CC1=CN(C(=.... |
10 | 2CCJ | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
11 | 2CCG | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
12 | 4HDC | ic50 = 1.2 nM | 13Y | C28 H32 Cl N3 O5 | CC1=CN(C(=.... |
13 | 4HEJ | ic50 = 24000 nM | 14D | C24 H24 F3 N3 O3 | CC1=CN(C(=.... |
14 | 4GSY | ic50 = 120 nM | 0Y5 | C25 H24 F3 N3 O5 | CC1=CN(C(=.... |
15 | 4HLC | ic50 = 174 nM | T05 | C24 H25 N3 O7 S | Cc1cccc(c1.... |
16 | 4TMK | Kd = 20 nM | T5A | C20 H30 N7 O23 P5 | CC1=CN(C(=.... |
17 | 1E2Q | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
18 | 1E9C | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
19 | 1NN0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
20 | 1E2G | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
21 | 1NN1 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
22 | 1NMX | - | FDM | C10 H14 F N2 O7 P | CC1=CN(C(=.... |
23 | 1E2E | - | AF3 | Al F3 | F[Al](F)F |
24 | 1NN5 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
25 | 1E9B | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
26 | 1E2D | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
27 | 1E99 | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
28 | 1NMY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
29 | 2XX3 | - | TAE | C9 H14 N2 O8 P2 | CC1=CN(C(=.... |
30 | 1NMZ | - | NYM | C10 H16 N3 O7 P | CC1=CN(C(=.... |
31 | 1E9D | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
32 | 1NN3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 1E9A | - | Z5A | C20 H24 N10 O22 P5 | CC1=CN(C(=.... |
34 | 1E9F | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
35 | 1E9E | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
36 | 1E98 | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
37 | 1E2F | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
38 | 2TMK | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
39 | 3TMK | Kd = 135 nM | T5A | C20 H30 N7 O23 P5 | CC1=CN(C(=.... |
40 | 1TMK | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
41 | 5X8C | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
42 | 5ZB4 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
43 | 5ZAX | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 5X86 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
45 | 5X8B | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
46 | 3UWO | ic50 = 0.44 uM | 0DJ | C14 H12 N4 O2 | CN1c2cc(cn.... |
47 | 3UXM | ic50 = 20 uM | 0DN | C10 H13 F N2 O4 | CC1=CN(C(=.... |
48 | 5UIV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
49 | 5XB2 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
50 | 5XB3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
51 | 5XAI | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
52 | 5H56 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
53 | 5H5B | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
54 | 5H5K | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 16T | 0.8801 |
This union binding pocket(no: 1) in the query (biounit: 4gfd.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4gfd.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |