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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02438945

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1NAB0.9
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.75
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.7
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,B1TW20.89
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,B1TW30.89
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID
A,B1KR30.7
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID
A,B1HLK0.7
BNRBIS-DAUNORUBICINB1AMD0.83
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.88
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.76
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.91
DDIA1R4E0.7
DDIA1P960.7
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.73
NOVNOVOBIOCINA,B1KIJ0.71
NOVNOVOBIOCINA,B1S140.71
NOVNOVOBIOCINA1AJ60.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.73
AKYA,B,C,D2IPI0.83
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.71
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.78
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.78
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.91
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.81
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.82
NGMNOGALAMYCINA,B,C,D258D0.83
NGMNOGALAMYCINA282D0.83
NGMNOGALAMYCINA,B224D0.83
NGMNOGALAMYCINA,B245D0.83
NGMNOGALAMYCINA,B1QCH0.83
NGMNOGALAMYCINA1D170.83
NGMNOGALAMYCINA,B1D210.83
NGMNOGALAMYCINA,B182D0.83
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.84
MNGMENOGARILA,B202D0.85
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.7
DM5IDARUBICINA,B,D198D0.91
DM5IDARUBICINA1D380.91
DM5IDARUBICINA1D670.91
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.72
DM64'-EPIDOXORUBICINA1D150.93
DM64'-EPIDOXORUBICINA1D540.93
DM64'-EPIDOXORUBICINA1D580.93
DM64'-EPIDOXORUBICINA1QDA0.93
DM2DOXORUBICINA2DR60.93
DM2DOXORUBICINA1P200.93
DM2DOXORUBICINA1I1E0.93
DM2DOXORUBICINA151D0.93
DM2DOXORUBICINA1D120.93
DM2DOXORUBICINA1DA90.93
DM36-DEOXYDAUNOMYCINA1D140.93
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.92
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.92
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.92
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.9
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
DM1DAUNOMYCINA152D0.93
DM1DAUNOMYCINA,B,C,D1O0K0.93
DM1DAUNOMYCINA1JO20.93
DM1DAUNOMYCINA,B308D0.93
DM1DAUNOMYCINA1D330.93
DM1DAUNOMYCINA110D0.93
DM1DAUNOMYCINA1D110.93
DM1DAUNOMYCINA427D0.93
DM1DAUNOMYCINA2D340.93
DM1DAUNOMYCINA3F8F0.93
DM1DAUNOMYCINA1D100.93
DM1DAUNOMYCINA1DA00.93
CCICALICHEAMICIN GAMMA-1-IB1QMS0.7
RUTRUTINA,B1RY80.73
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.84
NCGA1MP70.72
GGTTrioxacarcin AA,B3C2J0.74
HEHHEDAMYCINA1JHI0.79
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.9
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.9
NCSB1KVH0.75
NCSA2NEO0.75
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.86
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.86
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.83
S2AA2OEY0.76