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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 4 families. | |||||
1 | 1SA4 | - | JAN | C27 H22 Cl2 N4 O | Cn1cncc1[C.... |
2 | 4GTM | ic50 = 9.2 nM | 7TM | C36 H42 N6 O5 S | CCCCCCNC(=.... |
3 | 1S63 | Ki = 0.9 nM | 778 | C22 H20 Cl N5 O | c1cc(cc(c1.... |
4 | 1TN7 | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
5 | 3E30 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
6 | 3E37 | ic50 = 4050 nM | ED5 | C32 H42 N6 O4 S | Cc1ccccc1S.... |
7 | 1LD8 | ic50 = 3.5 nM | U49 | C26 H21 N5 O2 | c1cc2ccc3c.... |
8 | 3PZ4 | ic50 = 6 nM | 3PZ | C29 H29 N5 O3 S | Cn1cncc1CN.... |
9 | 3KSL | - | SZH | C13 H25 F3 N2 O9 P2 | C[C@@H](CC.... |
10 | 3E32 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
11 | 1JCQ | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
12 | 1O1S | Ki = 49 nM | 1NH | C24 H30 O9 P2 | C/C(=CCO[P.... |
13 | 1MZC | ic50 = 0.06 nM | BNE | C28 H33 N5 O2 | CC[C@]1(CC.... |
14 | 4GTR | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
15 | 2ZIR | ic50 = 6.4 nM | NH7 | C30 H27 Cl N4 O4 | Cn1cncc1[C.... |
16 | 1TN8 | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
17 | 3E34 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
18 | 4GTO | ic50 = 10.5 nM | 7TO | C30 H28 F3 N5 O6 S2 | Cn1cncc1CN.... |
19 | 1JCS | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
20 | 3KSQ | ic50 = 0.38 nM | Z96 | C28 H32 Cl N5 O3 | CC(C)(C)OC.... |
21 | 1JCR | - | CYS VAL PHE MET | n/a | n/a |
22 | 3E33 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
23 | 1O1R | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
24 | 1LD7 | ic50 = 1.1 nM | U66 | C27 H27 N5 O2 | c1cc2ccc3c.... |
25 | 1O5M | ic50 = 1.9 nM | 336 | C27 H31 Br2 Cl N4 O2 | c1c(cc(c2c.... |
26 | 1O1T | - | 2NH | C36 H62 N4 O6 S2 | CC[C@H](C).... |
27 | 2IEJ | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
28 | 1NI1 | ic50 = 0.9 nM | 2C5 | C25 H17 Cl2 N5 O | Cn1cncc1[C.... |
29 | 2R2L | ic50 = 0.58 nM | PB9 | C28 H33 N7 O4 S | Cn1cncc1CN.... |
30 | 1QBQ | Ki = 5 nM | HFP | C15 H33 O4 P | CC(C)CCCC(.... |
31 | 1N95 | - | HFP | C15 H33 O4 P | CC(C)CCCC(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1SA4 | - | JAN | C27 H22 Cl2 N4 O | Cn1cncc1[C.... |
2 | 4GTM | ic50 = 9.2 nM | 7TM | C36 H42 N6 O5 S | CCCCCCNC(=.... |
3 | 1S63 | Ki = 0.9 nM | 778 | C22 H20 Cl N5 O | c1cc(cc(c1.... |
4 | 1TN7 | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
5 | 3E30 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
6 | 3E37 | ic50 = 4050 nM | ED5 | C32 H42 N6 O4 S | Cc1ccccc1S.... |
7 | 1LD8 | ic50 = 3.5 nM | U49 | C26 H21 N5 O2 | c1cc2ccc3c.... |
8 | 3PZ4 | ic50 = 6 nM | 3PZ | C29 H29 N5 O3 S | Cn1cncc1CN.... |
9 | 3KSL | - | SZH | C13 H25 F3 N2 O9 P2 | C[C@@H](CC.... |
10 | 3E32 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
11 | 1JCQ | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
12 | 1O1S | Ki = 49 nM | 1NH | C24 H30 O9 P2 | C/C(=CCO[P.... |
13 | 1MZC | ic50 = 0.06 nM | BNE | C28 H33 N5 O2 | CC[C@]1(CC.... |
14 | 4GTR | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
15 | 2ZIR | ic50 = 6.4 nM | NH7 | C30 H27 Cl N4 O4 | Cn1cncc1[C.... |
16 | 1TN8 | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
17 | 3E34 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
18 | 4GTO | ic50 = 10.5 nM | 7TO | C30 H28 F3 N5 O6 S2 | Cn1cncc1CN.... |
19 | 1JCS | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
20 | 3KSQ | ic50 = 0.38 nM | Z96 | C28 H32 Cl N5 O3 | CC(C)(C)OC.... |
21 | 1JCR | - | CYS VAL PHE MET | n/a | n/a |
22 | 3E33 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
23 | 1O1R | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
24 | 1LD7 | ic50 = 1.1 nM | U66 | C27 H27 N5 O2 | c1cc2ccc3c.... |
25 | 1O5M | ic50 = 1.9 nM | 336 | C27 H31 Br2 Cl N4 O2 | c1c(cc(c2c.... |
26 | 1O1T | - | 2NH | C36 H62 N4 O6 S2 | CC[C@H](C).... |
27 | 2IEJ | - | FII | C17 H30 N O5 P | CC(=CCC/C(.... |
28 | 1NI1 | ic50 = 0.9 nM | 2C5 | C25 H17 Cl2 N5 O | Cn1cncc1[C.... |
29 | 2R2L | ic50 = 0.58 nM | PB9 | C28 H33 N7 O4 S | Cn1cncc1CN.... |
30 | 1QBQ | Ki = 5 nM | HFP | C15 H33 O4 P | CC(C)CCCC(.... |
31 | 1N95 | - | HFP | C15 H33 O4 P | CC(C)CCCC(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2NH | 1 | 1 |
2 | CYS SER GLN GLN GLY LYS SER SER CMT FAR | 0.419048 | 0.818182 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 2) in the query (biounit: 1mzc.bio1) has 15 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |