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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 1IPB | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
2 | 1IPC | - | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
3 | 5OSX | ic50 = 0.285 uM | AKW | C21 H30 N10 O16 P3 S2 | C[n+]1cn(c.... |
4 | 1L8B | Kd = 0.14 uM | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
5 | 5J5Y | Ka = 82.8 M^-1 | 6G6 | C13 H21 Cl2 N5 O16 P4 | C[n+]1cn(c.... |
6 | 4TPW | Kd = 20.5 uM | 33R | C18 H12 Cl2 N4 O4 S | c1ccc(c(c1.... |
7 | 4TQB | - | MGT | C11 H20 N5 O14 P3 | CN1CN(C2=C.... |
8 | 1EJ1 | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
9 | 4TQC | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
10 | 5J5O | Ka = 102.8 M^-1 | 6G0 | C11 H20 N5 O17 P4 | C[n+]1cn(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 1IPB | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
2 | 1IPC | - | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
3 | 2WMC | - | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
4 | 5OSX | ic50 = 0.285 uM | AKW | C21 H30 N10 O16 P3 S2 | C[n+]1cn(c.... |
5 | 1L8B | Kd = 0.14 uM | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
6 | 5J5Y | Ka = 82.8 M^-1 | 6G6 | C13 H21 Cl2 N5 O16 P4 | C[n+]1cn(c.... |
7 | 4TPW | Kd = 20.5 uM | 33R | C18 H12 Cl2 N4 O4 S | c1ccc(c(c1.... |
8 | 4TQB | - | MGT | C11 H20 N5 O14 P3 | CN1CN(C2=C.... |
9 | 1EJ1 | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
10 | 4TQC | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
11 | 5J5O | Ka = 102.8 M^-1 | 6G0 | C11 H20 N5 O17 P4 | C[n+]1cn(c.... |
12 | 2IDV | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MGT | 1 | 1 |
2 | M7G | 0.910256 | 1 |
3 | 8GT | 0.557895 | 0.914634 |
4 | TPG | 0.55 | 0.920455 |
5 | G8D | 0.505155 | 0.914634 |
6 | M7M | 0.49505 | 0.963855 |
7 | U5F | 0.458333 | 0.780488 |
8 | CTP | 0.453608 | 0.829268 |
9 | HF4 | 0.453608 | 0.829268 |
10 | UTP | 0.447917 | 0.780488 |
11 | 6G0 | 0.438095 | 0.837209 |
12 | BUP | 0.434343 | 0.755814 |
13 | 8DG | 0.433962 | 0.872093 |
14 | 01G | 0.433628 | 0.791209 |
15 | MGP | 0.428571 | 0.837209 |
16 | H6Y | 0.428571 | 0.77907 |
17 | QBQ | 0.419048 | 0.811765 |
18 | 8GM | 0.414141 | 0.902439 |
19 | M7G A2M G | 0.411765 | 0.88764 |
20 | GTP | 0.411215 | 0.823529 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MGO | 0.9906 |
2 | ACP | 0.9160 |
3 | GNP | 0.9145 |
4 | GDP | 0.9090 |
5 | ANP | 0.9080 |
6 | ATP | 0.9049 |
7 | DGT | 0.9047 |
8 | ADP | 0.8986 |
9 | HDV | 0.8887 |
10 | HF7 | 0.8870 |
11 | DTP | 0.8868 |
12 | GCP | 0.8785 |
13 | DZ4 | 0.8738 |
14 | ADP BEF | 0.8727 |
15 | ALF ADP | 0.8717 |
16 | 3AT | 0.8706 |
17 | ADX | 0.8706 |
18 | TTP | 0.8701 |
19 | AP2 | 0.8634 |
20 | GDP BEF | 0.8600 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1l8b.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1l8b.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |