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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02469551

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.92
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.73
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.85
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.85
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.85
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.85
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.85
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.85
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.88
NCSB1KVH0.76
NCSA2NEO0.76
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.85
CCICALICHEAMICIN GAMMA-1-IB1QMS0.71
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.71
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
A2O7O0.72
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.85
DM1DAUNOMYCINA152D0.88
DM1DAUNOMYCINA,B,C,D1O0K0.88
DM1DAUNOMYCINA1JO20.88
DM1DAUNOMYCINA,B308D0.88
DM1DAUNOMYCINA1D330.88
DM1DAUNOMYCINA110D0.88
DM1DAUNOMYCINA1D110.88
DM1DAUNOMYCINA427D0.88
DM1DAUNOMYCINA2D340.88
DM1DAUNOMYCINA3F8F0.88
DM1DAUNOMYCINA1D100.88
DM1DAUNOMYCINA1DA00.88
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.82
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.7
DM64'-EPIDOXORUBICINA1D150.88
DM64'-EPIDOXORUBICINA1D540.88
DM64'-EPIDOXORUBICINA1D580.88
DM64'-EPIDOXORUBICINA1QDA0.88
DM2DOXORUBICINA2DR60.88
DM2DOXORUBICINA1P200.88
DM2DOXORUBICINA1I1E0.88
DM2DOXORUBICINA151D0.88
DM2DOXORUBICINA1D120.88
DM2DOXORUBICINA1DA90.88
DM36-DEOXYDAUNOMYCINA1D140.87
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.84
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.84
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.88
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.71
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.89
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,B1TW20.9
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,B1TW30.9
NCGA1MP70.73
AKYA,B,C,D2IPI0.86
BNRBIS-DAUNORUBICINB1AMD0.85
RUTRUTINA,B1RY80.72
MNGMENOGARILA,B202D0.87
HEHHEDAMYCINA1JHI0.8
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1E1Y0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A,B3BLR0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1C8K0.71
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.74
BA1BALANOLA1BX60.7
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE
A1BB70.7
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,B1NAB0.86
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.89
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.74
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.9
NGMNOGALAMYCINA,B,C,D258D0.85
NGMNOGALAMYCINA282D0.85
NGMNOGALAMYCINA,B224D0.85
NGMNOGALAMYCINA,B245D0.85
NGMNOGALAMYCINA,B1QCH0.85
NGMNOGALAMYCINA1D170.85
NGMNOGALAMYCINA,B1D210.85
NGMNOGALAMYCINA,B182D0.85
GGTTrioxacarcin AA,B3C2J0.73
NOVNOVOBIOCINA,B1KIJ0.73
NOVNOVOBIOCINA,B1S140.73
NOVNOVOBIOCINA1AJ60.73
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.79
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.79
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.86
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.86
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.92
S2AA2OEY0.76
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.86
DM5IDARUBICINA,B,D198D0.85
DM5IDARUBICINA1D380.85
DM5IDARUBICINA1D670.85