Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727503
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 |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.75 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.75 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.84 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.84 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.84 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.84 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.84 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.84 | |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.81 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.84 | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.79 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.81 | |
NGU | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.78 | |
S2A | A | 2OEY | 0.73 | ||
HEH | HEDAMYCIN | A | 1JHI | 0.75 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | |
EH5 | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.71 | |
GGT | Trioxacarcin A | A,B | 3C2J | 0.71 | |
NOV | NOVOBIOCIN | A,B | 1KIJ | 0.71 | |
NOV | NOVOBIOCIN | A,B | 1S14 | 0.71 | |
NOV | NOVOBIOCIN | A | 1AJ6 | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.71 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.87 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.87 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.84 | |
NCG | A | 1MP7 | 0.71 | ||
DM9 | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.76 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.84 | |
NGM | NOGALAMYCIN | A,B,C,D | 258D | 0.78 | |
NGM | NOGALAMYCIN | A | 282D | 0.78 | |
NGM | NOGALAMYCIN | A,B | 224D | 0.78 | |
NGM | NOGALAMYCIN | A,B | 245D | 0.78 | |
NGM | NOGALAMYCIN | A,B | 1QCH | 0.78 | |
NGM | NOGALAMYCIN | A | 1D17 | 0.78 | |
NGM | NOGALAMYCIN | A,B | 1D21 | 0.78 | |
NGM | NOGALAMYCIN | A,B | 182D | 0.78 | |
NCS | B | 1KVH | 0.72 | ||
NCS | A | 2NEO | 0.72 | ||
MNG | MENOGARIL | A,B | 202D | 0.79 | |
NGP | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.78 | |
DZN | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.7 | |
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 | 0.84 | |
AKY | A,B,C,D | 2IPI | 0.78 | ||
ERT | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW2 | 0.82 | |
ERT | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW3 | 0.82 | |
DRA | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.79 | |
DM1 | DAUNOMYCIN | A | 152D | 0.86 | |
DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.86 | |
DM1 | DAUNOMYCIN | A | 1JO2 | 0.86 | |
DM1 | DAUNOMYCIN | A,B | 308D | 0.86 | |
DM1 | DAUNOMYCIN | A | 1D33 | 0.86 | |
DM1 | DAUNOMYCIN | A | 110D | 0.86 | |
DM1 | DAUNOMYCIN | A | 1D11 | 0.86 | |
DM1 | DAUNOMYCIN | A | 427D | 0.86 | |
DM1 | DAUNOMYCIN | A | 2D34 | 0.86 | |
DM1 | DAUNOMYCIN | A | 3F8F | 0.86 | |
DM1 | DAUNOMYCIN | A | 1D10 | 0.86 | |
DM1 | DAUNOMYCIN | A | 1DA0 | 0.86 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.86 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.86 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.86 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.84 | |
DM5 | IDARUBICIN | A | 1D38 | 0.84 | |
DM5 | IDARUBICIN | A | 1D67 | 0.84 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.83 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.83 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.86 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.74 | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.86 | |
DM2 | DOXORUBICIN | A | 1P20 | 0.86 | |
DM2 | DOXORUBICIN | A | 1I1E | 0.86 | |
DM2 | DOXORUBICIN | A | 151D | 0.86 | |
DM2 | DOXORUBICIN | A | 1D12 | 0.86 | |
DM2 | DOXORUBICIN | A | 1DA9 | 0.86 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.86 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.86 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.86 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.86 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.81 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.81 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.81 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.81 |