Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02467392
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 |
S2A | A | 2OEY | 0.74 | ||
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.75 | |
NGU | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.86 | |
AKY | A,B,C,D | 2IPI | 0.88 | ||
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 | 0.87 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.85 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.85 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.9 | |
DM9 | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.87 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.95 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.95 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.95 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.95 | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.9 | |
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 | 0.91 | |
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 | 0.91 | |
NGP | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.82 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.87 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.87 | |
HEH | HEDAMYCIN | A | 1JHI | 0.78 | |
E3G | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.7 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.92 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.88 | |
NCG | A | 1MP7 | 0.76 | ||
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.86 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.86 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.86 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.86 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.86 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.86 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.86 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.84 | |
TBH | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)- AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}- 3-HYDROXY-3-PENTYLAMINO-PROPYL)- 2-CARBOXYMETHOXY-BENZOIC ACID | B | 1JF7 | 0.72 | |
NGM | NOGALAMYCIN | A,B,C,D | 258D | 0.86 | |
NGM | NOGALAMYCIN | A | 282D | 0.86 | |
NGM | NOGALAMYCIN | A,B | 224D | 0.86 | |
NGM | NOGALAMYCIN | A,B | 245D | 0.86 | |
NGM | NOGALAMYCIN | A,B | 1QCH | 0.86 | |
NGM | NOGALAMYCIN | A | 1D17 | 0.86 | |
NGM | NOGALAMYCIN | A,B | 1D21 | 0.86 | |
NGM | NOGALAMYCIN | A,B | 182D | 0.86 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.89 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.89 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.89 | |
CCG | CALICHEAMICIN GAMMA-1 | A | 2GKC | 0.72 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.71 | |
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 | |
MNG | MENOGARIL | A,B | 202D | 0.88 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.86 | |
DM5 | IDARUBICIN | A | 1D38 | 0.86 | |
DM5 | IDARUBICIN | A | 1D67 | 0.86 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.89 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.89 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.89 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.89 | |
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 | |
HMY | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.71 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.71 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.71 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.71 | |
CCI | CALICHEAMICIN GAMMA-1-I | B | 1QMS | 0.74 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.76 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.76 | |
DRA | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.9 | |
DZN | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.74 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.71 | |
RUT | RUTIN | A,B | 1RY8 | 0.74 | |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.93 | |
NCS | B | 1KVH | 0.73 | ||
NCS | A | 2NEO | 0.73 | ||
DXT | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)- 3,5,10,12,12A-PENTAHYDROXY-6-METHYL- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A- OCTAHYDROTETRACENE-2-CARBOXAMIDE | A | 2O7O | 0.71 | |
GGT | Trioxacarcin A | A,B | 3C2J | 0.75 |