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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439230

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.88
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.9
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.89
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.89
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.89
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.89
NCSB1KVH0.76
NCSA2NEO0.76
NOVNOVOBIOCINA,B1KIJ0.71
NOVNOVOBIOCINA,B1S140.71
NOVNOVOBIOCINA1AJ60.71
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.85
AKYA,B,C,D2IPI0.83
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
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.85
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.85
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
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.81
MNGMENOGARILA,B202D0.85
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.88
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.88
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.84
DM36-DEOXYDAUNOMYCINA1D140.88
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.86
DM64'-EPIDOXORUBICINA1D150.88
DM64'-EPIDOXORUBICINA1D540.88
DM64'-EPIDOXORUBICINA1D580.88
DM64'-EPIDOXORUBICINA1QDA0.88
DM2DOXORUBICINA2DR60.88
DM2DOXORUBICINA1P200.88
DM2DOXORUBICINA1I1E0.88
DM2DOXORUBICINA151D0.88
DM2DOXORUBICINA1D120.88
DM2DOXORUBICINA1DA90.88
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.83
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.72
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.86
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.86
GGTTrioxacarcin AA,B3C2J0.72
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.71
RUTRUTINA,B1RY80.7
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.72
NCGA1MP70.73
BNRBIS-DAUNORUBICINB1AMD0.85
DM5IDARUBICINA,B,D198D0.86
DM5IDARUBICINA1D380.86
DM5IDARUBICINA1D670.86
CCICALICHEAMICIN GAMMA-1-IB1QMS0.7
BA1BALANOLA1BX60.7
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.9
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,B1TW20.87
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,B1TW30.87
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.73
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.79
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.79
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.85
HEHHEDAMYCINA1JHI0.81
S2AA2OEY0.76
NGMNOGALAMYCINA,B,C,D258D0.84
NGMNOGALAMYCINA282D0.84
NGMNOGALAMYCINA,B224D0.84
NGMNOGALAMYCINA,B245D0.84
NGMNOGALAMYCINA,B1QCH0.84
NGMNOGALAMYCINA1D170.84
NGMNOGALAMYCINA,B1D210.84
NGMNOGALAMYCINA,B182D0.84