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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02467392

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2AA2OEY0.74
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.75
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.86
AKYA,B,C,D2IPI0.88
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
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.9
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.95
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.95
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.95
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.95
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.9
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,B1TW20.91
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,B1TW30.91
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.82
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.87
HEHHEDAMYCINA1JHI0.78
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.7
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.92
DM36-DEOXYDAUNOMYCINA1D140.88
NCGA1MP70.76
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
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.86
BNRBIS-DAUNORUBICINB1AMD0.84
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.72
NGMNOGALAMYCINA,B,C,D258D0.86
NGMNOGALAMYCINA282D0.86
NGMNOGALAMYCINA,B224D0.86
NGMNOGALAMYCINA,B245D0.86
NGMNOGALAMYCINA,B1QCH0.86
NGMNOGALAMYCINA1D170.86
NGMNOGALAMYCINA,B1D210.86
NGMNOGALAMYCINA,B182D0.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.89
CCGCALICHEAMICIN GAMMA-1A2GKC0.72
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.71
DM1DAUNOMYCINA152D0.89
DM1DAUNOMYCINA,B,C,D1O0K0.89
DM1DAUNOMYCINA1JO20.89
DM1DAUNOMYCINA,B308D0.89
DM1DAUNOMYCINA1D330.89
DM1DAUNOMYCINA110D0.89
DM1DAUNOMYCINA1D110.89
DM1DAUNOMYCINA427D0.89
DM1DAUNOMYCINA2D340.89
DM1DAUNOMYCINA3F8F0.89
DM1DAUNOMYCINA1D100.89
DM1DAUNOMYCINA1DA00.89
MNGMENOGARILA,B202D0.88
DM5IDARUBICINA,B,D198D0.86
DM5IDARUBICINA1D380.86
DM5IDARUBICINA1D670.86
DM64'-EPIDOXORUBICINA1D150.89
DM64'-EPIDOXORUBICINA1D540.89
DM64'-EPIDOXORUBICINA1D580.89
DM64'-EPIDOXORUBICINA1QDA0.89
DM2DOXORUBICINA2DR60.89
DM2DOXORUBICINA1P200.89
DM2DOXORUBICINA1I1E0.89
DM2DOXORUBICINA151D0.89
DM2DOXORUBICINA1D120.89
DM2DOXORUBICINA1DA90.89
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione
A,B3C9W0.71
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
CCICALICHEAMICIN GAMMA-1-IB1QMS0.74
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.76
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.76
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.9
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.74
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.71
RUTRUTINA,B1RY80.74
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.93
NCSB1KVH0.73
NCSA2NEO0.73
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
A2O7O0.71
GGTTrioxacarcin AA,B3C2J0.75