Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03546121
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 |
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 | 0.75 |  |
| 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 | 0.75 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.78 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.8 | |
| MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.8 | |
| MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.8 | |
OTG | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.73 | |
DRA | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.77 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.79 | |
AKY | A,B,C,D | 2IPI | 0.76 | | |
NCS | B | 1KVH | 0.71 | | |
| NCS | A | 2NEO | 0.71 | | |
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 | 0.82 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.75 | |
| DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.75 | |
| DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.75 | |
| DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.75 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.77 | |
| DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.77 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.71 | |
NGU | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.73 | |
SUW | ME-A-9-N-(NAPHTHYL-2-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1OD7 | 0.74 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.83 | |
| DM5 | IDARUBICIN | A | 1D38 | 0.83 | |
| DM5 | IDARUBICIN | A | 1D67 | 0.83 | |
S06 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane- 8,9,10-triol | A | 2QRP | 0.72 | |
DM1 | DAUNOMYCIN | A | 152D | 0.81 | |
| DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.81 | |
| DM1 | DAUNOMYCIN | A | 1JO2 | 0.81 | |
| DM1 | DAUNOMYCIN | A,B | 308D | 0.81 | |
| DM1 | DAUNOMYCIN | A | 1D33 | 0.81 | |
| DM1 | DAUNOMYCIN | A | 110D | 0.81 | |
| DM1 | DAUNOMYCIN | A | 1D11 | 0.81 | |
| DM1 | DAUNOMYCIN | A | 427D | 0.81 | |
| DM1 | DAUNOMYCIN | A | 2D34 | 0.81 | |
| DM1 | DAUNOMYCIN | A | 3F8F | 0.81 | |
| DM1 | DAUNOMYCIN | A | 1D10 | 0.81 | |
| DM1 | DAUNOMYCIN | A | 1DA0 | 0.81 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.72 | |
| CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.72 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.81 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.81 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.81 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.81 | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.81 | |
| DM2 | DOXORUBICIN | A | 1P20 | 0.81 | |
| DM2 | DOXORUBICIN | A | 1I1E | 0.81 | |
| DM2 | DOXORUBICIN | A | 151D | 0.81 | |
| DM2 | DOXORUBICIN | A | 1D12 | 0.81 | |
| DM2 | DOXORUBICIN | A | 1DA9 | 0.81 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.78 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.78 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.78 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.78 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.78 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.78 | |
MNG | MENOGARIL | A,B | 202D | 0.75 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.81 | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.77 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.83 | |
TXL | TAXOTERE | A,B,K | 1IA0 | 0.7 | |
| TXL | TAXOTERE | A,B | 1TUB | 0.7 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.73 | |
| BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.73 | |
SHP | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.72 | |
BDU | ME-A-9-N-(BIPHENYL-4-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1ODA | 0.72 | |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.73 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.72 | |
DM9 | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.72 | |
NGP | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.73 | |
DDI | A | 1R4E | 0.82 | | |
| DDI | A | 1P96 | 0.82 | | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.75 | |
NGM | NOGALAMYCIN | A,B,C,D | 258D | 0.73 | |
| NGM | NOGALAMYCIN | A | 282D | 0.73 | |
| NGM | NOGALAMYCIN | A,B | 224D | 0.73 | |
| NGM | NOGALAMYCIN | A,B | 245D | 0.73 | |
| NGM | NOGALAMYCIN | A,B | 1QCH | 0.73 | |
| NGM | NOGALAMYCIN | A | 1D17 | 0.73 | |
| NGM | NOGALAMYCIN | A,B | 1D21 | 0.73 | |
| NGM | NOGALAMYCIN | A,B | 182D | 0.73 | |
HEH | HEDAMYCIN | A | 1JHI | 0.71 | |
PH5 | 2-PHENYL-PROP5AC | A,B | 2BVE | 0.73 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.71 | |
| BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.71 | |
S2A | A | 2OEY | 0.76 | |