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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02456036

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BNRBIS-DAUNORUBICINB1AMD0.82
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.84
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.84
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
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.8
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.71
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,B1NAB0.83
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
A1LF30.71
S2AA2OEY0.75
CCICALICHEAMICIN GAMMA-1-IB1QMS0.71
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.7
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.8
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
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.82
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID
A1S0J0.7
DM1DAUNOMYCINA152D0.87
DM1DAUNOMYCINA,B,C,D1O0K0.87
DM1DAUNOMYCINA1JO20.87
DM1DAUNOMYCINA,B308D0.87
DM1DAUNOMYCINA1D330.87
DM1DAUNOMYCINA110D0.87
DM1DAUNOMYCINA1D110.87
DM1DAUNOMYCINA427D0.87
DM1DAUNOMYCINA2D340.87
DM1DAUNOMYCINA3F8F0.87
DM1DAUNOMYCINA1D100.87
DM1DAUNOMYCINA1DA00.87
NGMNOGALAMYCINA,B,C,D258D0.8
NGMNOGALAMYCINA282D0.8
NGMNOGALAMYCINA,B224D0.8
NGMNOGALAMYCINA,B245D0.8
NGMNOGALAMYCINA,B1QCH0.8
NGMNOGALAMYCINA1D170.8
NGMNOGALAMYCINA,B1D210.8
NGMNOGALAMYCINA,B182D0.8
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.74
HEHHEDAMYCINA1JHI0.78
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.77
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.77
DM64'-EPIDOXORUBICINA1D150.87
DM64'-EPIDOXORUBICINA1D540.87
DM64'-EPIDOXORUBICINA1D580.87
DM64'-EPIDOXORUBICINA1QDA0.87
DM2DOXORUBICINA2DR60.87
DM2DOXORUBICINA1P200.87
DM2DOXORUBICINA1I1E0.87
DM2DOXORUBICINA151D0.87
DM2DOXORUBICINA1D120.87
DM2DOXORUBICINA1DA90.87
DM36-DEOXYDAUNOMYCINA1D140.87
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.84
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.84
AKYA,B,C,D2IPI0.8
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID
A1G7G0.71
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
NCGA1MP70.74
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.85
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.85
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.85
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.85
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.85
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE
C2FDC0.71
BA1BALANOLA1BX60.74
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.8
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE
A1BB70.7
NCSB1KVH0.74
NCSA2NEO0.74
MNGMENOGARILA,B202D0.83
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.9
DM5IDARUBICINA,B,D198D0.84
DM5IDARUBICINA1D380.84
DM5IDARUBICINA1D670.84
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.82
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.84
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.73
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.84