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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 | 1LRT | Ki = 2.3 uM | TAD | C20 H27 N7 O13 P2 S | c1c(nc(s1).... |
2 | 1MEI | - | MOA | C17 H20 O6 | Cc1c2c(c(c.... |
3 | 1ME9 | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
4 | 1ME8 | Ki = 65 nM | RVP | C8 H13 N4 O8 P | c1nc(nn1[C.... |
5 | 2BZN | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
6 | 6D4V | ic50 = 0.23 uM | FWM | C21 H27 N3 O3 S | c1cc2cnccc.... |
7 | 5OU3 | Ki = 0.61 uM | AUN | C22 H20 Br N5 O2 | C[C@@H](C(.... |
8 | 6D4R | ic50 = 1.1 uM | FWY | C20 H19 N4 O5 S | c1cc(cc(c1.... |
9 | 6D4T | ic50 = 0.12 uM | FWS | C22 H22 N4 O5 S | C[C@H]1CN(.... |
10 | 5OU1 | Ki = 0.86 uM | AUQ | C16 H16 I N O3 | C[C@@H](C(.... |
11 | 5K4Z | Kd = 0.7 uM | 6Q8 | C20 H18 F N5 O3 S | Cc1c(c([nH.... |
12 | 5OU2 | Ki = 609 uM | 36Y | C9 H7 Br N2 | c1cc(ccc1c.... |
13 | 5J5R | Ki = 130 nM | 6G1 | C20 H25 N3 O3 S | c1cc2cnccc.... |
14 | 4ZQN | Ki = 17 nM | 4QO | C22 H26 Cl N3 O2 | CC(=C)c1cc.... |
15 | 4ZQO | Ki = 14 nM | Q67 | C21 H16 Cl2 N4 O2 | C[C@@H](C(.... |
16 | 4IXH | ic50 = 6.1 nM | Q21 | C25 H19 N3 O3 | C[C@@H](C(.... |
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 | 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 |