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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 261 families. | |||||
1 | 5FOV | Kd = 1590 uM | ACE PHE HIS THR GLY NH2 | n/a | n/a |
2 | 4D6P | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 5J4K | - | 6FZ | C10 H10 O2 | c1ccc2c(c1.... |
4 | 5FOU | Kd = 113 uM | ACE PHE HIS PRO ALA NH2 | n/a | n/a |
5 | 4B34 | Kd = 0.73 mM | ABV | C7 H6 N2 S | c1ccc2c(c1.... |
6 | 4B32 | Kd = 0.46 mM | 03V | C10 H8 O | c1ccc2cc(c.... |
7 | 4B3C | Kd = 1.9 mM | 5H1 | C8 H7 N O | c1cc2c(cc[.... |
8 | 5FOW | Kd = 93 uM | ACE TRP HIS THR ALA NH2 NH2 | n/a | n/a |
9 | 4B33 | Kd = 0.43 mM | 1NP | C10 H8 O | c1ccc2c(c1.... |
10 | 4B2I | Kd = 1 mM | LZ1 | C7 H6 N2 | c1ccc2c(c1.... |
11 | 4B35 | Kd = 1.3 mM | 4ME | C10 H9 N O2 | COC(=O)c1c.... |
12 | 4B2L | Kd = 0.57 mM | TR7 | C12 H14 N2 O2 | COC(=O)[C@.... |
13 | 4UQO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 5FOT | Kd = 680 uM | ACE PHE HIS THR ABA NH2 | n/a | n/a |
15 | 5FOX | Kd = 675 uM | ACE PHE HIS ALA ALA NH2 | n/a | n/a |
16 | 4B3D | Kd = 2.1 mM | 5MI | C9 H9 N | Cc1ccc2c(c.... |
17 | 5J4H | - | 1F1 | C9 H7 N O2 | c1cc(cc2c1.... |
18 | 4B3B | Kd = 250 uM | ACE PHE HIS THR ALA NH2 | n/a | n/a |
19 | 5FPK | - | ACE PHE ALA THR ALA NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5FOV | Kd = 1590 uM | ACE PHE HIS THR GLY NH2 | n/a | n/a |
2 | 4D6P | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 5J4K | - | 6FZ | C10 H10 O2 | c1ccc2c(c1.... |
4 | 5FOU | Kd = 113 uM | ACE PHE HIS PRO ALA NH2 | n/a | n/a |
5 | 4B34 | Kd = 0.73 mM | ABV | C7 H6 N2 S | c1ccc2c(c1.... |
6 | 4B32 | Kd = 0.46 mM | 03V | C10 H8 O | c1ccc2cc(c.... |
7 | 4B3C | Kd = 1.9 mM | 5H1 | C8 H7 N O | c1cc2c(cc[.... |
8 | 5FOW | Kd = 93 uM | ACE TRP HIS THR ALA NH2 NH2 | n/a | n/a |
9 | 4B33 | Kd = 0.43 mM | 1NP | C10 H8 O | c1ccc2c(c1.... |
10 | 4B2I | Kd = 1 mM | LZ1 | C7 H6 N2 | c1ccc2c(c1.... |
11 | 4B35 | Kd = 1.3 mM | 4ME | C10 H9 N O2 | COC(=O)c1c.... |
12 | 4B2L | Kd = 0.57 mM | TR7 | C12 H14 N2 O2 | COC(=O)[C@.... |
13 | 4UQO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 5FOT | Kd = 680 uM | ACE PHE HIS THR ABA NH2 | n/a | n/a |
15 | 5FOX | Kd = 675 uM | ACE PHE HIS ALA ALA NH2 | n/a | n/a |
16 | 4B3D | Kd = 2.1 mM | 5MI | C9 H9 N | Cc1ccc2c(c.... |
17 | 5J4H | - | 1F1 | C9 H7 N O2 | c1cc(cc2c1.... |
18 | 4B3B | Kd = 250 uM | ACE PHE HIS THR ALA NH2 | n/a | n/a |
19 | 5FPK | - | ACE PHE ALA THR ALA NH2 | n/a | n/a |
20 | 2FPK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 1T4G | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
22 | 2FPL | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
23 | 2FPM | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
24 | 2I1Q | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
25 | 3NTU | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
26 | 2F1J | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
27 | 3FYH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
28 | 1XU4 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
29 | 3EW9 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
30 | 3EWA | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
31 | 3ETL | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
32 | 2GDJ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACE PHE ALA THR ALA NH2 | 1 | 1 |
2 | ACE PHE HIS THR ALA NH2 | 0.662651 | 0.77551 |
3 | ACE PHE HIS ALA ALA NH2 | 0.590361 | 0.653061 |
4 | ACE PHE HIS THR ABA NH2 | 0.527473 | 0.76 |
5 | ALA PHE THR SER | 0.46988 | 0.902439 |
6 | ACE VAL PHE PHE ALA GLU ASP NH2 | 0.468085 | 0.733333 |
7 | ACE PHE ALA TYR M3L SER NH2 | 0.464646 | 0.612903 |
8 | LYS ALA VAL PHE ASN PHE ALA THR MET | 0.45283 | 0.705882 |
9 | ACE THR THR ALA ILE NH2 | 0.445946 | 0.761905 |
10 | ALA PHE THR | 0.43038 | 0.921053 |
11 | OIR | 0.43038 | 0.697674 |
12 | ALA VAL TYR ASN PHE ALA THR MET | 0.428571 | 0.672727 |
13 | ACE TRP HIS THR ALA NH2 NH2 | 0.423077 | 0.76 |
14 | LYS ALA VAL TYR ASN PHE ALA THR MET | 0.421053 | 0.666667 |
15 | ALA GLU THR PHE | 0.420455 | 0.880952 |
16 | SER LEU PHE ASN THR VAL ALA THR LEU | 0.418182 | 0.787234 |
17 | ACE LEU PHE PHE GLK CF0 GLU | 0.41573 | 0.723404 |
18 | IYT | 0.4125 | 0.729167 |
19 | ACE LEU PHE | 0.410256 | 0.780488 |
20 | SER PHE ALA ASN GLY | 0.404255 | 0.744681 |
21 | ACE THR VAL ALA SER SER NH2 | 0.402439 | 0.790698 |
22 | SER GLY ILE PHE LEU GLU THR SER | 0.4 | 0.755102 |
23 | ORT PHE 66N | 0.4 | 0.652174 |
No: | Ligand | Similarity coefficient |
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