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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 1MEI | - | MOA | C17 H20 O6 | Cc1c2c(c(c.... |
2 | 1ME9 | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
3 | 1ME8 | Ki = 65 nM | RVP | C8 H13 N4 O8 P | c1nc(nn1[C.... |
4 | 1MEW | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
5 | 1ME7 | Ki = 65 nM | RVP | C8 H13 N4 O8 P | c1nc(nn1[C.... |
6 | 1MEH | - | MOA | C17 H20 O6 | Cc1c2c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5MCP | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 6RPU | - | G5P | C20 H29 N10 O23 P5 | c1nc(c2c(n.... |
3 | 4Z87 | Ki = 210 uM | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
4 | 5TC3 | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
5 | 1PVN | Ki = 0.15 nM | MZP | C9 H12 N3 O9 P | c1[nH+]c(c.... |
6 | 6JIG | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
7 | 6LK4 | Kd = 6.75 uM | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
8 | 5AHN | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
9 | 1MEW | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
10 | 1ME7 | Ki = 65 nM | RVP | C8 H13 N4 O8 P | c1nc(nn1[C.... |
11 | 1MEH | - | MOA | C17 H20 O6 | Cc1c2c(c(c.... |
12 | 2C6Q | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
13 | 6D4S | ic50 = 0.9 uM | FWV | C20 H18 Cl2 N4 O3 S | c1cc2cnccc.... |
14 | 6D4U | ic50 = 1.98 uM | FWP | C23 H25 N3 O5 S | COc1ccc(c(.... |
15 | 5K4X | ic50 = 0.38 uM | 6Q9 | C12 H13 N5 O2 S | Cc1c(c(n[n.... |
16 | 6D4Q | ic50 = 0.83 uM | FWG | C21 H27 N3 O3 S | c1cc2cnccc.... |
17 | 6D4W | - | FWJ | C21 H20 F N3 O3 S | c1cc2cnccc.... |
18 | 4ZQP | Ki = 1580 nM | KP3 | C28 H32 N8 O8 | Cc1c2c(c(c.... |
19 | 4ZQM | - | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
20 | 5AHM | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
21 | 4Z0G | Ki = 600 uM | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
22 | 4XTI | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
23 | 4XTD | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
24 | 1ZFJ | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MOA | 1 | 1 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RVP | 1 | 1 |
2 | RBV | 0.672414 | 0.835821 |
3 | AMZ | 0.527778 | 0.9 |
4 | C2R | 0.506849 | 0.887324 |
5 | LJN | 0.506494 | 0.875 |
6 | NIA | 0.493333 | 0.828947 |
7 | FAI | 0.487179 | 0.9 |
8 | IRN | 0.485294 | 0.850746 |
9 | AIR | 0.478873 | 0.884058 |
10 | AMP | 0.467532 | 0.847222 |
11 | A | 0.467532 | 0.847222 |
12 | JLN | 0.45 | 0.873239 |
13 | AAM | 0.432099 | 0.847222 |
14 | 7RA | 0.432099 | 0.835616 |
15 | 1RB | 0.43038 | 0.814286 |
16 | 8BR | 0.426829 | 0.792208 |
17 | RBZ | 0.425 | 0.780822 |
18 | G | 0.423529 | 0.84 |
19 | 5GP | 0.423529 | 0.84 |
20 | 71V | 0.421687 | 0.772152 |
21 | 7RP | 0.419753 | 0.830986 |
22 | IMP | 0.416667 | 0.837838 |
23 | IMO | 0.414634 | 0.833333 |
24 | RMB | 0.414634 | 0.802817 |
25 | P2P | 0.414634 | 0.808219 |
26 | GUO | 0.413043 | 0.875 |
27 | 93A | 0.411765 | 0.768293 |
28 | GRF | 0.409836 | 0.727273 |
29 | 6MZ | 0.409639 | 0.810811 |
30 | 2SA | 0.406593 | 0.815789 |
31 | OK8 | 0.406593 | 0.863014 |
32 | PMO | 0.404762 | 0.780822 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PNX | 0.9020 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MZP | 0.9780 |
2 | AMP MG | 0.9517 |
3 | UP6 | 0.9389 |
4 | ICR | 0.9383 |
5 | NMN | 0.9374 |
6 | U5P | 0.9343 |
7 | ABM | 0.9230 |
8 | XMP | 0.9223 |
9 | FMP | 0.9174 |
10 | IMU | 0.9162 |
11 | PFU | 0.9144 |
12 | 8OP | 0.9144 |
13 | SRA | 0.9118 |
14 | DA | 0.9108 |
15 | A3N | 0.9104 |
16 | ZAS | 0.9063 |
17 | UFP | 0.9062 |
18 | GAR | 0.9041 |
19 | D5M | 0.9024 |
20 | IRP | 0.9012 |
21 | DGP | 0.8918 |
22 | 9L3 | 0.8905 |
23 | AOC | 0.8878 |
24 | MTA | 0.8836 |
25 | PSU | 0.8834 |
26 | 6MA | 0.8834 |
27 | 45A | 0.8826 |
28 | MTE | 0.8811 |
29 | DG | 0.8642 |
30 | G7M | 0.8626 |
This union binding pocket(no: 2) in the query (biounit: 1me8.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1me8.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1me8.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |