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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02454340

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DM2DOXORUBICINA2DR60.83
DM2DOXORUBICINA1P200.83
DM2DOXORUBICINA1I1E0.83
DM2DOXORUBICINA151D0.83
DM2DOXORUBICINA1D120.83
DM2DOXORUBICINA1DA90.83
DM64'-EPIDOXORUBICINA1D150.83
DM64'-EPIDOXORUBICINA1D540.83
DM64'-EPIDOXORUBICINA1D580.83
DM64'-EPIDOXORUBICINA1QDA0.83
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.7
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.81
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.78
TXLTAXOTEREA,B,K1IA00.71
TXLTAXOTEREA,B1TUB0.71
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.71
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.72
NCSB1KVH0.71
NCSA2NEO0.71
DM1DAUNOMYCINA152D0.83
DM1DAUNOMYCINA,B,C,D1O0K0.83
DM1DAUNOMYCINA1JO20.83
DM1DAUNOMYCINA,B308D0.83
DM1DAUNOMYCINA1D330.83
DM1DAUNOMYCINA110D0.83
DM1DAUNOMYCINA1D110.83
DM1DAUNOMYCINA427D0.83
DM1DAUNOMYCINA2D340.83
DM1DAUNOMYCINA3F8F0.83
DM1DAUNOMYCINA1D100.83
DM1DAUNOMYCINA1DA00.83
DDIA1R4E0.78
DDIA1P960.78
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.75
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.75
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,B1TW20.78
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,B1TW30.78
MNGMENOGARILA,B202D0.74
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.7
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.81
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.81
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.81
HEHHEDAMYCINA1JHI0.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.71
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.86
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.74
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.74
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.7
AKYA,B,C,D2IPI0.77
DM36-DEOXYDAUNOMYCINA1D140.84
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.79
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.79
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.8
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.8
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.8
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.8
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.8
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.8
DM5IDARUBICINA,B,D198D0.86
DM5IDARUBICINA1D380.86
DM5IDARUBICINA1D670.86
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,B1NAB0.84
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.73
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.78
PH52-PHENYL-PROP5ACA,B2BVE0.7
SUWME-A-9-N-(NAPHTHYL-2-CARBONYL)-
AMINO-9-DEOXY-NEU5AC
A1OD70.71
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.7
NGMNOGALAMYCINA,B,C,D258D0.72
NGMNOGALAMYCINA282D0.72
NGMNOGALAMYCINA,B224D0.72
NGMNOGALAMYCINA,B245D0.72
NGMNOGALAMYCINA,B1QCH0.72
NGMNOGALAMYCINA1D170.72
NGMNOGALAMYCINA,B1D210.72
NGMNOGALAMYCINA,B182D0.72
BNRBIS-DAUNORUBICINB1AMD0.72
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.71
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.71
TA1TAXOLA,B1JFF0.7
TA1TAXOLA,B,C2HXH0.7
TA1TAXOLA,B,N3DCO0.7
TA1TAXOLA,B,K2P4N0.7
TA1TAXOLA,B,D,F,G3EDL0.7
TA1TAXOLA,B,C2HXF0.7
TA1TAXOLA,B,C2WBE0.7
HC7(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-
4-yl]-2-hydroxy-4,4-dimethylmorpholin-
4-ium
A3FEG0.71
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.8
BAD(1S)-2-amino-1-phenylethyl 6-O-
beta-L-glucopyranosyl-alpha-D-mannopyranoside
A2QJE0.74
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.74
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.76
S2AA2OEY0.76