Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015043
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 |
B2V | VALINE BORONIC ACID | A,P | 2LPR | 0.72 | |
B2V | VALINE BORONIC ACID | A,P | 1P03 | 0.72 | |
B2V | VALINE BORONIC ACID | A,P | 1P10 | 0.72 | |
B2V | VALINE BORONIC ACID | A,B | 2H5D | 0.72 | |
B2V | VALINE BORONIC ACID | A,P | 1P01 | 0.72 | |
N2P | PENTANE-1,5-DIAMINE | A,B | 2OO0 | 0.71 | |
N2P | PENTANE-1,5-DIAMINE | A,B | 1H3M | 0.71 | |
N2P | PENTANE-1,5-DIAMINE | A,B,C,D | 1GZL | 0.71 | |
AML | AMYLAMINE | A | 1JIR | 0.78 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I7B | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ6 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B,C,D | 1I7M | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I79 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 2O06 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 1JL0 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I72 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B,C,D | 1A99 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ4 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3H0W | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ3 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 1MSV | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A | 1I7C | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ7 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3EPB | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B,C,D | 1F3T | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ2 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3DZ5 | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3EPA | 0.77 | |
PUT | 1,4-DIAMINOBUTANE | A,B | 3H0V | 0.77 | |
HAI | CYCLOHEXYLAMMONIUM ION | A | 1NAW | 0.73 | |
HAI | CYCLOHEXYLAMMONIUM ION | A,B | 2H52 | 0.73 | |
HAI | CYCLOHEXYLAMMONIUM ION | A,B | 1EJD | 0.73 | |
HAI | CYCLOHEXYLAMMONIUM ION | A,B | 2HHJ | 0.73 | |
LEN | 3-METHYLBUTAN-1-AMINE | A | 1PE5 | 0.75 | |
LEN | 3-METHYLBUTAN-1-AMINE | A | 1PE7 | 0.75 | |
LEN | 3-METHYLBUTAN-1-AMINE | A | 1PE8 | 0.75 | |
DCI | 2-METHYL-BUTYLAMINE | E,I | 1ENT | 0.75 | |
DCI | 2-METHYL-BUTYLAMINE | A,I | 1GVW | 0.75 | |
DCI | 2-METHYL-BUTYLAMINE | E | 1EPP | 0.75 | |
DCI | 2-METHYL-BUTYLAMINE | I | 4ER1 | 0.75 | |
ALM | 1-METHYL-ALANINAL | I | 1PAD | 0.71 | |
ALM | 1-METHYL-ALANINAL | I | 1HNE | 0.71 | |
ALM | 1-METHYL-ALANINAL | A,B,I,J | 2RDL | 0.71 | |
ALM | 1-METHYL-ALANINAL | I | 6PAD | 0.71 | |
LYT | BUTYLAMINE | A | 1EAG | 0.86 | |
3CN | 3-AMINOPROPANE | A,B,C,D | 3C0R | 0.85 | |
3CN | 3-AMINOPROPANE | B | 3BY4 | 0.85 | |
LPT | CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX | A,C | 1LU5 | 0.7 | |
CDE | 1,2-DIMETHYL-PROPYLAMINE | C | 1B0R | 0.87 | |
NEH | ETHANAMINE | A | 1YY2 | 0.75 | |
NEH | ETHANAMINE | A,B | 2IBI | 0.75 | |
NPT | NEOPENTYLAMINE | I | 1IVQ | 0.77 | |
13D | 1,3-DIAMINOPROPANE | A,B | 2F8W | 0.73 | |
IBN | 2-METHYLPROPAN-1-AMINE | A,B | 2QDY | 0.82 | |
NTB | TERTIARY-BUTYLAMINE | A,B | 1HXB | 0.73 | |
NTB | TERTIARY-BUTYLAMINE | A,B | 2FGU | 0.73 | |
NTB | TERTIARY-BUTYLAMINE | A,B | 1MTB | 0.73 | |
NTB | TERTIARY-BUTYLAMINE | A,B | 2FGV | 0.73 | |
1CB | CYCLOPENTANAMINE | A | 2AS6 | 0.76 |