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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01871535

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.7
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.76
TXLTAXOTEREA,B,K1IA00.71
TXLTAXOTEREA,B1TUB0.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.72
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.73
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.91
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.91
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,B1TW20.74
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,B1TW30.74
HEHHEDAMYCINA1JHI0.73
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.75
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		B1MRX0.7
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A1MRW0.7
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.73
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.73
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.75
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.73
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.73
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.74
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.7
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE		A,B1N5Q0.8
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,B1NAB0.73
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.72
CTC7-CHLOROTETRACYCLINEA1BJ00.84
CTC7-CHLOROTETRACYCLINEA,B1BJY0.84
CTC7-CHLOROTETRACYCLINEA2FJ10.84
CTC7-CHLOROTETRACYCLINEA1DU70.84
CTC7-CHLOROTETRACYCLINEA,B3EGZ0.84
CTC7-CHLOROTETRACYCLINEA2TCT0.84
DM1DAUNOMYCINA152D0.73
DM1DAUNOMYCINA,B,C,D1O0K0.73
DM1DAUNOMYCINA1JO20.73
DM1DAUNOMYCINA,B308D0.73
DM1DAUNOMYCINA1D330.73
DM1DAUNOMYCINA110D0.73
DM1DAUNOMYCINA1D110.73
DM1DAUNOMYCINA427D0.73
DM1DAUNOMYCINA2D340.73
DM1DAUNOMYCINA3F8F0.73
DM1DAUNOMYCINA1D100.73
DM1DAUNOMYCINA1DA00.73
DM36-DEOXYDAUNOMYCINA1D140.74
BA1BALANOLA1BX60.73
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		A,B1KZK0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		B1MSM0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		A,B2ANL0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		B1MSN0.71
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.72
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE		A1ORK0.76
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.73
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.73
BNRBIS-DAUNORUBICINB1AMD0.73
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.71
MNGMENOGARILA,B202D0.71
DM2DOXORUBICINA2DR60.73
DM2DOXORUBICINA1P200.73
DM2DOXORUBICINA1I1E0.73
DM2DOXORUBICINA151D0.73
DM2DOXORUBICINA1D120.73
DM2DOXORUBICINA1DA90.73
D2C(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-
7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-
TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-
DODECAHYDROTETRACENE-2-CARBOXAMIDE		A,D,M,N,Z2F4V0.78
DM64'-EPIDOXORUBICINA1D150.73
DM64'-EPIDOXORUBICINA1D540.73
DM64'-EPIDOXORUBICINA1D580.73
DM64'-EPIDOXORUBICINA1QDA0.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.72
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.73
MIY(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-
3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-
1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-
2-CARBOXAMIDE		A2DRD0.8
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		A2O7O0.94
DM5IDARUBICINA,B,D198D0.74
DM5IDARUBICINA1D380.74
DM5IDARUBICINA1D670.74
AKYA,B,C,D2IPI0.75
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.9
TACTETRACYCLINEA2VKE0.9
TACTETRACYCLINEA2TRT0.9
TACTETRACYCLINEB2UXO0.9
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.9
TACTETRACYCLINEA,D,H,N1HNW0.9
TACTETRACYCLINEA,B2HCJ0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.71
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.71
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.71
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.71
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.71
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.71
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.72
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.75