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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 426 families. | |||||
1 | 3IF7 | Kd = 61 nM | SPU | C23 H50 N2 O5 P | CCCCCCCCCC.... |
2 | 1QIW | Kd = 18 nM | DPD | C34 H48 N2 O2 | CCCCOc1ccc.... |
3 | 1LIN | - | TFP | C21 H24 F3 N3 S | CN1CCN(CC1.... |
4 | 1L7Z | Kd = 3 nM | GLY GLY LYS LEU SER LYS LYS LYS LYS MYR | n/a | n/a |
5 | 6OS4 | - | 5U0 | C19 H33 N O2 S | CC(=CCC/C(.... |
6 | 1CTR | - | TFP | C21 H24 F3 N3 S | CN1CCN(CC1.... |
7 | 1XA5 | Kd = 316 nM | KAR | C46 H56 Cl N5 O7 | CC[C@@]1(C.... |
8 | 6O5G | Kd = 2 uM | LMJ | C21 H23 Br Cl N3 O | CC1(c2c(c3.... |
9 | 6EEB | Kd = 5 uM | J6P | C21 H23 Cl2 N3 O | CC1(c2c(c3.... |
10 | 6M7H | - | KN9 | C26 H29 Cl N2 O4 S | CN(C/C=C/c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 1DTL | - | BEP | C24 H34 N2 O | CC(C)COC[C.... |
2 | 3IF7 | Kd = 61 nM | SPU | C23 H50 N2 O5 P | CCCCCCCCCC.... |
3 | 1QIW | Kd = 18 nM | DPD | C34 H48 N2 O2 | CCCCOc1ccc.... |
4 | 1LIN | - | TFP | C21 H24 F3 N3 S | CN1CCN(CC1.... |
5 | 1L7Z | Kd = 3 nM | GLY GLY LYS LEU SER LYS LYS LYS LYS MYR | n/a | n/a |
6 | 6OS4 | - | 5U0 | C19 H33 N O2 S | CC(=CCC/C(.... |
7 | 1CTR | - | TFP | C21 H24 F3 N3 S | CN1CCN(CC1.... |
8 | 1XA5 | Kd = 316 nM | KAR | C46 H56 Cl N5 O7 | CC[C@@]1(C.... |
9 | 6O5G | Kd = 2 uM | LMJ | C21 H23 Br Cl N3 O | CC1(c2c(c3.... |
10 | 6EEB | Kd = 5 uM | J6P | C21 H23 Cl2 N3 O | CC1(c2c(c3.... |
11 | 6M7H | - | KN9 | C26 H29 Cl N2 O4 S | CN(C/C=C/c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SPU | 1 | 1 |
2 | S1P | 0.65625 | 0.775862 |
3 | 3XU | 0.590361 | 0.903226 |
4 | 42H | 0.54321 | 0.852459 |
5 | LPE | 0.5 | 0.87931 |
6 | PCW | 0.5 | 0.819672 |
7 | PQJ | 0.492308 | 0.824561 |
8 | LPC | 0.487179 | 0.836066 |
9 | K6G | 0.487179 | 0.836066 |
10 | LAP | 0.487179 | 0.836066 |
11 | LP3 | 0.487179 | 0.836066 |
12 | FO4 | 0.466667 | 0.903226 |
13 | PSC | 0.462366 | 0.819672 |
14 | HGP | 0.445783 | 0.803279 |
15 | PLD | 0.445783 | 0.803279 |
16 | HGX | 0.445783 | 0.803279 |
17 | PC7 | 0.445783 | 0.803279 |
18 | PX4 | 0.445783 | 0.803279 |
19 | 6PL | 0.445783 | 0.803279 |
20 | LIO | 0.445783 | 0.803279 |
21 | CH5 | 0.424242 | 0.79661 |
22 | XP5 | 0.421687 | 0.803279 |
23 | OPC | 0.419355 | 0.806452 |
24 | 1PW | 0.4125 | 0.714286 |
25 | LOP | 0.4 | 0.758065 |
26 | 6OU | 0.4 | 0.758065 |
27 | L9Q | 0.4 | 0.758065 |
No: | Ligand | Similarity coefficient |
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