Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02495898
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 |
44D![]() | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL- TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY- 6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]- 6,9,11-TRIHYDROXY-9-(2-HYDROXY- ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE- 5,12-DIONE | A,B | 1NAB | 0.8 | ![]() |
485![]() | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO- PYRAN-2-YL)- ACETIC ACID | A | 1JIL | 0.74 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.72 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.72 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.72 | ![]() |
AKA![]() | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.79 | ![]() |
CMD![]() | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.76 | ![]() |
383![]() | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2- AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID | A | 1JII | 0.7 | ![]() |
B8L![]() | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | ![]() |
545![]() | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | A | 1JIK | 0.7 | ![]() |
DM2![]() | DOXORUBICIN | A | 2DR6 | 0.79 | ![]() |
DM2![]() | DOXORUBICIN | A | 1P20 | 0.79 | ![]() |
DM2![]() | DOXORUBICIN | A | 1I1E | 0.79 | ![]() |
DM2![]() | DOXORUBICIN | A | 151D | 0.79 | ![]() |
DM2![]() | DOXORUBICIN | A | 1D12 | 0.79 | ![]() |
DM2![]() | DOXORUBICIN | A | 1DA9 | 0.79 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.79 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.73 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.78 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.78 | ![]() |
BD2![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.72 | ![]() |
DM1![]() | DAUNOMYCIN | A | 152D | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A,B,C,D | 1O0K | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1JO2 | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A,B | 308D | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D33 | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 110D | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D11 | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 427D | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 2D34 | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 3F8F | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D10 | 0.79 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1DA0 | 0.79 | ![]() |
AKT![]() | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.82 | ![]() |
AKY![]() | A,B,C,D | 2IPI | 0.8 | ![]() | |
BNR![]() | BIS-DAUNORUBICIN | B | 1AMD | 0.74 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.77 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.77 | ![]() |
DM4![]() | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.81 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.77 | ![]() |