Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018443
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
DCI | 2-METHYL-BUTYLAMINE | E,I | 1ENT | 1 | |
DCI | 2-METHYL-BUTYLAMINE | A,I | 1GVW | 1 | |
DCI | 2-METHYL-BUTYLAMINE | E | 1EPP | 1 | |
DCI | 2-METHYL-BUTYLAMINE | I | 4ER1 | 1 | |
IBN | 2-METHYLPROPAN-1-AMINE | A,B | 2QDY | 0.91 | |
LEN | 3-METHYLBUTAN-1-AMINE | A | 1PE5 | 1 | |
LEN | 3-METHYLBUTAN-1-AMINE | A | 1PE7 | 1 | |
LEN | 3-METHYLBUTAN-1-AMINE | A | 1PE8 | 1 | |
B2I | ISOLEUCINE BORONIC ACID | A,P | 1P04 | 0.88 | |
B2I | ISOLEUCINE BORONIC ACID | E,I | 5EST | 0.88 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I7B | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ6 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B,C,D | 1I7M | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I79 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 2O06 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 1JL0 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I72 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B,C,D | 1A99 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ4 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3H0W | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ3 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 1MSV | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I7C | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ7 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3EPB | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B,C,D | 1F3T | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ2 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ5 | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3EPA | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3H0V | 0.78 | |
N2P | PENTANE-1,5-DIAMINE | A,B | 2OO0 | 0.72 | |
N2P | PENTANE-1,5-DIAMINE | A,B | 1H3M | 0.72 | |
N2P | PENTANE-1,5-DIAMINE | A,B,C,D | 1GZL | 0.72 | |
BLE | LEUCINE BORONIC ACID | A,P | 1GBL | 0.88 | |
BLE | LEUCINE BORONIC ACID | A,P | 9LPR | 0.88 | |
BLE | LEUCINE BORONIC ACID | A,P | 7LPR | 0.88 | |
BLE | LEUCINE BORONIC ACID | A,P | 1GBC | 0.88 | |
BLE | LEUCINE BORONIC ACID | A,P | 1GBH | 0.88 | |
LYT | BUTYLAMINE | A | 1EAG | 0.86 | |
CDE | 1,2-DIMETHYL-PROPYLAMINE | C | 1B0R | 0.88 | |
B2V | VALINE BORONIC ACID | A,P | 2LPR | 0.8 | |
B2V | VALINE BORONIC ACID | A,P | 1P03 | 0.8 | |
B2V | VALINE BORONIC ACID | A,P | 1P10 | 0.8 | |
B2V | VALINE BORONIC ACID | A,B | 2H5D | 0.8 | |
B2V | VALINE BORONIC ACID | A,P | 1P01 | 0.8 | |
3CN | 3-AMINOPROPANE | A,B,C,D | 3C0R | 0.77 | |
3CN | 3-AMINOPROPANE | B | 3BY4 | 0.77 | |
NPT | NEOPENTYLAMINE | I | 1IVQ | 0.78 | |
AML | AMYLAMINE | A | 1JIR | 0.79 | |
BNO | NORLEUCINE BORONIC ACID | A,P | 6LPR | 0.7 | |
BNO | NORLEUCINE BORONIC ACID | A,P | 3LPR | 0.7 | |
BNO | NORLEUCINE BORONIC ACID | A,P | 1P05 | 0.7 |