Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099243
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 |
MBH | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.7 |  |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.74 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.73 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.73 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.73 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.77 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.79 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.7 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.7 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.76 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.73 | |
| HPH | PHENYLALANINDIOL | A | 1ODW | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.73 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.77 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.72 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.73 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.8 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.8 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.75 | |
| G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.75 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.71 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.71 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.71 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.71 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.71 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.71 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.7 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 | |