Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02449002
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 |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.78 | ![]() |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.78 | ![]() |
NGM![]() | NOGALAMYCIN | A,B,C,D | 258D | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A | 282D | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 224D | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 245D | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 1QCH | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A | 1D17 | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 1D21 | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 182D | 0.71 | ![]() |
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 | ![]() |
B8L![]() | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.7 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.73 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.73 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.73 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.73 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.7 | ![]() |
AKA![]() | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.71 | ![]() |
HWG![]() | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.71 | ![]() |
DM4![]() | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.75 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.7 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.7 | ![]() |
NOD![]() | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.75 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.76 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.76 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.76 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.74 | ![]() |
MNG![]() | MENOGARIL | A,B | 202D | 0.73 | ![]() |
K05![]() | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.78 | ![]() |
NGU![]() | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.71 | ![]() |
DRA![]() | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 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 | 0.74 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.77 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.77 | ![]() |
CMD![]() | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.73 | ![]() |
DM1![]() | DAUNOMYCIN | A | 152D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A,B,C,D | 1O0K | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1JO2 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A,B | 308D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D33 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 110D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D11 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 427D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 2D34 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 3F8F | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D10 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1DA0 | 0.78 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.7 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.77 | ![]() |
AKT![]() | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.73 | ![]() |
DM2![]() | DOXORUBICIN | A | 2DR6 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1P20 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1I1E | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 151D | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1D12 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1DA9 | 0.78 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D15 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D54 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D58 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1QDA | 0.78 | ![]() |
HEH![]() | HEDAMYCIN | A | 1JHI | 0.71 | ![]() |
DM5![]() | IDARUBICIN | A,B,D | 198D | 0.75 | ![]() |
DM5![]() | IDARUBICIN | A | 1D38 | 0.75 | ![]() |
DM5![]() | IDARUBICIN | A | 1D67 | 0.75 | ![]() |
BNR![]() | BIS-DAUNORUBICIN | B | 1AMD | 0.78 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.76 | ![]() |