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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439762

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
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.71
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.9
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,B1TW20.85
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,B1TW30.85
NGMNOGALAMYCINA,B,C,D258D0.79
NGMNOGALAMYCINA282D0.79
NGMNOGALAMYCINA,B224D0.79
NGMNOGALAMYCINA,B245D0.79
NGMNOGALAMYCINA,B1QCH0.79
NGMNOGALAMYCINA1D170.79
NGMNOGALAMYCINA,B1D210.79
NGMNOGALAMYCINA,B182D0.79
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.85
AKYA,B,C,D2IPI0.81
DM5IDARUBICINA,B,D198D0.88
DM5IDARUBICINA1D380.88
DM5IDARUBICINA1D670.88
DM36-DEOXYDAUNOMYCINA1D140.9
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.74
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,B1NAB0.88
S2AA2OEY0.72
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.82
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.89
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.79
BNRBIS-DAUNORUBICINB1AMD0.81
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.83
NCGA1MP70.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.84
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.84
NCSB1KVH0.72
NCSA2NEO0.72
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.78
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.87
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.87
RUTRUTINA,B1RY80.72
MNGMENOGARILA,B202D0.81
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.7
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.79
DM2DOXORUBICINA2DR60.91
DM2DOXORUBICINA1P200.91
DM2DOXORUBICINA1I1E0.91
DM2DOXORUBICINA151D0.91
DM2DOXORUBICINA1D120.91
DM2DOXORUBICINA1DA90.91
DM64'-EPIDOXORUBICINA1D150.91
DM64'-EPIDOXORUBICINA1D540.91
DM64'-EPIDOXORUBICINA1D580.91
DM64'-EPIDOXORUBICINA1QDA0.91
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.82
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.88
GGTTrioxacarcin AA,B3C2J0.73
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.84
DM1DAUNOMYCINA152D0.91
DM1DAUNOMYCINA,B,C,D1O0K0.91
DM1DAUNOMYCINA1JO20.91
DM1DAUNOMYCINA,B308D0.91
DM1DAUNOMYCINA1D330.91
DM1DAUNOMYCINA110D0.91
DM1DAUNOMYCINA1D110.91
DM1DAUNOMYCINA427D0.91
DM1DAUNOMYCINA2D340.91
DM1DAUNOMYCINA3F8F0.91
DM1DAUNOMYCINA1D100.91
DM1DAUNOMYCINA1DA00.91
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.88
HEHHEDAMYCINA1JHI0.76