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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02431992

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
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.86
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.86
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.84
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.84
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.84
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.84
RUTRUTINA,B1RY80.71
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.7
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.83
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.83
DM1DAUNOMYCINA152D0.9
DM1DAUNOMYCINA,B,C,D1O0K0.9
DM1DAUNOMYCINA1JO20.9
DM1DAUNOMYCINA,B308D0.9
DM1DAUNOMYCINA1D330.9
DM1DAUNOMYCINA110D0.9
DM1DAUNOMYCINA1D110.9
DM1DAUNOMYCINA427D0.9
DM1DAUNOMYCINA2D340.9
DM1DAUNOMYCINA3F8F0.9
DM1DAUNOMYCINA1D100.9
DM1DAUNOMYCINA1DA00.9
S2AA2OEY0.73
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.81
BNRBIS-DAUNORUBICINB1AMD0.8
DM2DOXORUBICINA2DR60.9
DM2DOXORUBICINA1P200.9
DM2DOXORUBICINA1I1E0.9
DM2DOXORUBICINA151D0.9
DM2DOXORUBICINA1D120.9
DM2DOXORUBICINA1DA90.9
DM64'-EPIDOXORUBICINA1D150.9
DM64'-EPIDOXORUBICINA1D540.9
DM64'-EPIDOXORUBICINA1D580.9
DM64'-EPIDOXORUBICINA1QDA0.9
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.79
DM5IDARUBICINA,B,D198D0.87
DM5IDARUBICINA1D380.87
DM5IDARUBICINA1D670.87
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,B1TW20.86
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,B1TW30.86
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,B1NAB0.87
HEHHEDAMYCINA1JHI0.77
NGMNOGALAMYCINA,B,C,D258D0.8
NGMNOGALAMYCINA282D0.8
NGMNOGALAMYCINA,B224D0.8
NGMNOGALAMYCINA,B245D0.8
NGMNOGALAMYCINA,B1QCH0.8
NGMNOGALAMYCINA1D170.8
NGMNOGALAMYCINA,B1D210.8
NGMNOGALAMYCINA,B182D0.8
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.83
AKYA,B,C,D2IPI0.8
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.81
GGTTrioxacarcin AA,B3C2J0.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.89
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.88
DM36-DEOXYDAUNOMYCINA1D140.89
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.8
MNGMENOGARILA,B202D0.82
NCGA1MP70.72
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.87
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.87
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.84
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.73
NCSB1KVH0.73
NCSA2NEO0.73
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.78