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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.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.75
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.84
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.81
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.84
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.79
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.81
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.78
S2AA2OEY0.73
HEHHEDAMYCINA1JHI0.75
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.72
EH5N-(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
A1LF30.71
GGTTrioxacarcin AA,B3C2J0.71
NOVNOVOBIOCINA,B1KIJ0.71
NOVNOVOBIOCINA,B1S140.71
NOVNOVOBIOCINA1AJ60.71
BA1BALANOLA1BX60.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.87
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.84
NCGA1MP70.71
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.76
BNRBIS-DAUNORUBICINB1AMD0.84
NGMNOGALAMYCINA,B,C,D258D0.78
NGMNOGALAMYCINA282D0.78
NGMNOGALAMYCINA,B224D0.78
NGMNOGALAMYCINA,B245D0.78
NGMNOGALAMYCINA,B1QCH0.78
NGMNOGALAMYCINA1D170.78
NGMNOGALAMYCINA,B1D210.78
NGMNOGALAMYCINA,B182D0.78
NCSB1KVH0.72
NCSA2NEO0.72
MNGMENOGARILA,B202D0.79
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.78
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.7
44D7-[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,B1NAB0.84
AKYA,B,C,D2IPI0.78
ERTMETHYL (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,B1TW20.82
ERTMETHYL (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,B1TW30.82
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.79
DM1DAUNOMYCINA152D0.86
DM1DAUNOMYCINA,B,C,D1O0K0.86
DM1DAUNOMYCINA1JO20.86
DM1DAUNOMYCINA,B308D0.86
DM1DAUNOMYCINA1D330.86
DM1DAUNOMYCINA110D0.86
DM1DAUNOMYCINA1D110.86
DM1DAUNOMYCINA427D0.86
DM1DAUNOMYCINA2D340.86
DM1DAUNOMYCINA3F8F0.86
DM1DAUNOMYCINA1D100.86
DM1DAUNOMYCINA1DA00.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.86
DM5IDARUBICINA,B,D198D0.84
DM5IDARUBICINA1D380.84
DM5IDARUBICINA1D670.84
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.83
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.83
DM36-DEOXYDAUNOMYCINA1D140.86
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.74
DM2DOXORUBICINA2DR60.86
DM2DOXORUBICINA1P200.86
DM2DOXORUBICINA1I1E0.86
DM2DOXORUBICINA151D0.86
DM2DOXORUBICINA1D120.86
DM2DOXORUBICINA1DA90.86
DM64'-EPIDOXORUBICINA1D150.86
DM64'-EPIDOXORUBICINA1D540.86
DM64'-EPIDOXORUBICINA1D580.86
DM64'-EPIDOXORUBICINA1QDA0.86
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.81
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.81
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.81
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.81