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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 1 families. | |||||
1 | 4ASJ | Kd = 0.028 uM | N6A | C18 H18 N4 O4 S | CN(C1=C(N(.... |
2 | 1G1L | - | DAU | C16 H26 N2 O16 P2 | CC1=CN(C(=.... |
3 | 4B42 | - | 942 | C16 H20 N4 O3 | CCCCN1C(=C.... |
4 | 4B4G | ic50 = 0.175 uM | KKT | C16 H22 N4 O4 S | CCCCS(=O)(.... |
5 | 4B4B | - | GJB | C12 H12 N2 O3 | c1ccc(cc1).... |
6 | 4B4M | ic50 = 0.205 uM | JWT | C18 H17 F N4 O4 S | CN(C1=C(N(.... |
7 | 3ZLK | ic50 = 1.32 uM | Y46 | C17 H16 N4 O4 S | c1ccc(cc1).... |
8 | 4B2W | - | BZ0 | C18 H16 N4 O3 | c1ccc(cc1).... |
9 | 1G0R | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
10 | 4ARW | Kd = 0.074 uM | HNR | C15 H20 N4 O4 S | CCCCN1C(=C.... |
11 | 3ZLL | Kd = 0.395 uM | 4WF | C11 H11 N3 O3 | c1ccc(cc1).... |
12 | 4B5B | ic50 = 0.387 uM | BBE | C19 H20 N4 O4 S | Cc1cccc(c1.... |
13 | 4ASY | - | N5Y | C19 H18 N4 O3 | CN(C1=C(N(.... |
14 | 1FXO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
15 | 4B3U | ic50 = 4.7 uM | NWL | C13 H16 N4 O2 | CCNC1=C(N(.... |
16 | 4B2X | - | NIQ | C13 H22 N4 O2 | CCCCN1C(=C.... |
17 | 1IIM | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
18 | 1IIN | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
19 | 1MP3 | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
20 | 1MP4 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
21 | 3PKQ | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
22 | 6B5E | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
23 | 6B5K | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
24 | 1LVW | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4ASJ | Kd = 0.028 uM | N6A | C18 H18 N4 O4 S | CN(C1=C(N(.... |
2 | 1G1L | - | DAU | C16 H26 N2 O16 P2 | CC1=CN(C(=.... |
3 | 4B42 | - | 942 | C16 H20 N4 O3 | CCCCN1C(=C.... |
4 | 4B4G | ic50 = 0.175 uM | KKT | C16 H22 N4 O4 S | CCCCS(=O)(.... |
5 | 4B4B | - | GJB | C12 H12 N2 O3 | c1ccc(cc1).... |
6 | 4B4M | ic50 = 0.205 uM | JWT | C18 H17 F N4 O4 S | CN(C1=C(N(.... |
7 | 3ZLK | ic50 = 1.32 uM | Y46 | C17 H16 N4 O4 S | c1ccc(cc1).... |
8 | 4B2W | - | BZ0 | C18 H16 N4 O3 | c1ccc(cc1).... |
9 | 1G0R | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
10 | 4ARW | Kd = 0.074 uM | HNR | C15 H20 N4 O4 S | CCCCN1C(=C.... |
11 | 3ZLL | Kd = 0.395 uM | 4WF | C11 H11 N3 O3 | c1ccc(cc1).... |
12 | 4B5B | ic50 = 0.387 uM | BBE | C19 H20 N4 O4 S | Cc1cccc(c1.... |
13 | 4ASY | - | N5Y | C19 H18 N4 O3 | CN(C1=C(N(.... |
14 | 1FXO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
15 | 4B3U | ic50 = 4.7 uM | NWL | C13 H16 N4 O2 | CCNC1=C(N(.... |
16 | 4B2X | - | NIQ | C13 H22 N4 O2 | CCCCN1C(=C.... |
17 | 1IIM | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
18 | 1IIN | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
19 | 1MP3 | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
20 | 1MP4 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
21 | 3PKQ | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
22 | 6B5E | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
23 | 6B5K | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
24 | 1LVW | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DYZ | 0.9330 |
2 | PW1 | 0.9327 |
3 | DJL | 0.9296 |
4 | Q9P | 0.9221 |
5 | BC3 | 0.9205 |
6 | 5OU | 0.9171 |
7 | MW5 | 0.9117 |
8 | PV4 | 0.9111 |
9 | 7Z9 | 0.9083 |
10 | B5A | 0.9049 |
11 | W1G | 0.9012 |
12 | 9X3 | 0.9010 |
13 | DE7 | 0.9007 |
14 | 1CE | 0.8982 |
15 | UQ1 | 0.8974 |
16 | FNA | 0.8956 |
17 | 6BC | 0.8945 |
18 | 9E3 | 0.8935 |
19 | A4V | 0.8931 |
20 | EXG | 0.8895 |
21 | E9P | 0.8891 |
22 | C0Y | 0.8882 |
23 | 30A | 0.8881 |
24 | H35 | 0.8857 |
25 | RK4 | 0.8854 |
26 | 2N0 | 0.8838 |
27 | 12R | 0.8807 |
28 | VIB | 0.8801 |
29 | 3AK | 0.8796 |
30 | FPL | 0.8793 |
31 | BAU | 0.8785 |
32 | MJ5 | 0.8766 |
33 | FT2 | 0.8761 |
34 | JA3 | 0.8755 |
35 | CH8 | 0.8753 |
36 | 0QV | 0.8730 |
37 | 69K | 0.8724 |
38 | 2UD | 0.8723 |
39 | NGS | 0.8701 |
40 | RNK | 0.8700 |
41 | FT3 | 0.8694 |
42 | I0D | 0.8683 |
43 | MTA | 0.8668 |
44 | FPM | 0.8642 |
45 | STZ | 0.8634 |
46 | YX1 | 0.8634 |
47 | 3IP | 0.8633 |
48 | PYU | 0.8631 |
49 | ZEA | 0.8631 |
50 | HHV | 0.8630 |
51 | VJJ | 0.8630 |
52 | 848 | 0.8628 |
53 | G8V | 0.8625 |
54 | TYP | 0.8613 |
55 | 96Z | 0.8607 |
56 | XYS XYS | 0.8603 |
57 | CX4 | 0.8602 |
58 | OX2 | 0.8598 |
59 | BIE | 0.8597 |
60 | IM5 | 0.8591 |
61 | IM4 | 0.8589 |
62 | DIH | 0.8555 |
63 | PZB | 0.8548 |
64 | 2OH | 0.8546 |
65 | FT1 | 0.8544 |
66 | N1Y | 0.8543 |
67 | 1U7 | 0.8542 |
68 | S3C | 0.8536 |
69 | TOP | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 4asj.bio1) has 94 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4asj.bio1) has 94 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4asj.bio3) has 133 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4asj.bio3) has 133 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4asj.bio2) has 132 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4asj.bio2) has 132 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4asj.bio4) has 94 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4asj.bio4) has 94 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |