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- 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 1 families. | |||||
1 | 6GO4 | - | DCT | C9 H16 N3 O12 P3 | C1C[C@@H](.... |
2 | 4I2D | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 4IQU | - | 1FQ | C17 H12 F N O5 | c1cc(ccc1C.... |
4 | 4I2I | - | AP5 | C20 H29 N10 O22 P5 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 6IPN | Kd = 140 uM | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
2 | 6IPK | Kd = 6.7 uM | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
3 | 6IPI | Kd = 1.95 uM | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
4 | 6IPH | Kd = 0.22 uM | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
5 | 5ZLC | Kd = 0.95 uM | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
6 | 6AEC | Kd = 0.71 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
7 | 6IPJ | Kd = 1.62 uM | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
8 | 6AK5 | Kd = 0.75 uM | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
9 | 6IPM | Kd = 206 uM | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
10 | 6AEH | Kd = 1.77 uM | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
11 | 6AK6 | Kd = 2.76 uM | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
12 | 6IPL | Kd = 153 uM | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
13 | 6GO4 | - | DCT | C9 H16 N3 O12 P3 | C1C[C@@H](.... |
14 | 4I2D | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
15 | 4IQU | - | 1FQ | C17 H12 F N O5 | c1cc(ccc1C.... |
16 | 4I2I | - | AP5 | C20 H29 N10 O22 P5 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DCT | 1 | 1 |
2 | DOC | 0.742857 | 0.985714 |
3 | DCP | 0.621951 | 0.971831 |
4 | D3T | 0.559524 | 0.891892 |
5 | CTP | 0.559524 | 0.90411 |
6 | HF4 | 0.559524 | 0.90411 |
7 | YYY | 0.535714 | 0.971831 |
8 | GTF | 0.534091 | 0.891892 |
9 | CDP | 0.488372 | 0.90411 |
10 | GCQ | 0.466667 | 0.891892 |
11 | DCM | 0.458824 | 0.957747 |
12 | DC | 0.458824 | 0.957747 |
13 | 0KX | 0.44086 | 0.945205 |
14 | DCP MG | 0.425532 | 0.916667 |
15 | 0RC | 0.421053 | 0.881579 |
16 | 7XL | 0.421053 | 0.88 |
17 | DCZ | 0.4125 | 0.821918 |
18 | LDC | 0.4125 | 0.821918 |
19 | C2G | 0.408163 | 0.866667 |
20 | CXY | 0.407767 | 0.855263 |
21 | C5P | 0.402299 | 0.890411 |
22 | C | 0.402299 | 0.890411 |
23 | CAR | 0.402299 | 0.890411 |
24 | 2TM | 0.4 | 0.893333 |
This union binding pocket(no: 1) in the query (biounit: 6go4.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |