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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 |
---|
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 |