Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727549
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 |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.92 |  |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.9 | |
CCI | CALICHEAMICIN GAMMA-1-I | B | 1QMS | 0.71 | |
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.74 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.73 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.74 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.88 | |
| BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.88 | |
BA1 | BALANOL | A | 1BX6 | 0.75 | |
DM1 | DAUNOMYCIN | A | 152D | 0.89 | |
| DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.89 | |
| DM1 | DAUNOMYCIN | A | 1JO2 | 0.89 | |
| DM1 | DAUNOMYCIN | A,B | 308D | 0.89 | |
| DM1 | DAUNOMYCIN | A | 1D33 | 0.89 | |
| DM1 | DAUNOMYCIN | A | 110D | 0.89 | |
| DM1 | DAUNOMYCIN | A | 1D11 | 0.89 | |
| DM1 | DAUNOMYCIN | A | 427D | 0.89 | |
| DM1 | DAUNOMYCIN | A | 2D34 | 0.89 | |
| DM1 | DAUNOMYCIN | A | 3F8F | 0.89 | |
| DM1 | DAUNOMYCIN | A | 1D10 | 0.89 | |
| DM1 | DAUNOMYCIN | A | 1DA0 | 0.89 | |
CCG | CALICHEAMICIN GAMMA-1 | A | 2GKC | 0.7 | |
AKY | A,B,C,D | 2IPI | 0.97 | | |
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 | 0.92 | |
DDI | A | 1R4E | 0.71 | | |
| DDI | A | 1P96 | 0.71 | | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.89 | |
| DM2 | DOXORUBICIN | A | 1P20 | 0.89 | |
| DM2 | DOXORUBICIN | A | 1I1E | 0.89 | |
| DM2 | DOXORUBICIN | A | 151D | 0.89 | |
| DM2 | DOXORUBICIN | A | 1D12 | 0.89 | |
| DM2 | DOXORUBICIN | A | 1DA9 | 0.89 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.82 | |
| CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.82 | |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.89 | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.96 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.92 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.86 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.7 | |
| CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.7 | |