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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02456542

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L
2HDN0.72
TACTETRACYCLINEA2VKE0.72
TACTETRACYCLINEA2TRT0.72
TACTETRACYCLINEB2UXO0.72
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T
1I970.72
TACTETRACYCLINEA,D,H,N1HNW0.72
TACTETRACYCLINEA,B2HCJ0.72
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
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.82
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.81
RUTRUTINA,B1RY80.71
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.92
NGMNOGALAMYCINA,B,C,D258D0.81
NGMNOGALAMYCINA282D0.81
NGMNOGALAMYCINA,B224D0.81
NGMNOGALAMYCINA,B245D0.81
NGMNOGALAMYCINA,B1QCH0.81
NGMNOGALAMYCINA1D170.81
NGMNOGALAMYCINA,B1D210.81
NGMNOGALAMYCINA,B182D0.81
DM1DAUNOMYCINA152D0.9
DM1DAUNOMYCINA,B,C,D1O0K0.9
DM1DAUNOMYCINA1JO20.9
DM1DAUNOMYCINA,B308D0.9
DM1DAUNOMYCINA1D330.9
DM1DAUNOMYCINA110D0.9
DM1DAUNOMYCINA1D110.9
DM1DAUNOMYCINA427D0.9
DM1DAUNOMYCINA2D340.9
DM1DAUNOMYCINA3F8F0.9
DM1DAUNOMYCINA1D100.9
DM1DAUNOMYCINA1DA00.9
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.72
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.71
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.88
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.72
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.72
AKYA,B,C,D2IPI0.87
DM2DOXORUBICINA2DR60.9
DM2DOXORUBICINA1P200.9
DM2DOXORUBICINA1I1E0.9
DM2DOXORUBICINA151D0.9
DM2DOXORUBICINA1D120.9
DM2DOXORUBICINA1DA90.9
DM64'-EPIDOXORUBICINA1D150.9
DM64'-EPIDOXORUBICINA1D540.9
DM64'-EPIDOXORUBICINA1D580.9
DM64'-EPIDOXORUBICINA1QDA0.9
DM36-DEOXYDAUNOMYCINA1D140.9
GGTTrioxacarcin AA,B3C2J0.71
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
A2O7O0.75
S2AA2OEY0.75
SUWME-A-9-N-(NAPHTHYL-2-CARBONYL)-
AMINO-9-DEOXY-NEU5AC
A1OD70.7
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID
A1PYN0.71
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.73
BA1BALANOLA1BX60.76
MNGMENOGARILA,B202D0.84
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.88
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.88
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.88
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.9
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.87
HEHHEDAMYCINA1JHI0.78
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID
A1S0J0.72
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.93
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.77
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.77
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.72
BNRBIS-DAUNORUBICINB1AMD0.84
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.71
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.88
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.81
NCGA1MP70.74
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.86
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.87
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.87
TA1TAXOLA,B1JFF0.74
TA1TAXOLA,B,C2HXH0.74
TA1TAXOLA,B,N3DCO0.74
TA1TAXOLA,B,K2P4N0.74
TA1TAXOLA,B,D,F,G3EDL0.74
TA1TAXOLA,B,C2HXF0.74
TA1TAXOLA,B,C2WBE0.74
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE
C2FDC0.71
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
A1LF30.7
DM5IDARUBICINA,B,D198D0.92
DM5IDARUBICINA1D380.92
DM5IDARUBICINA1D670.92
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID
A1G7G0.72
TXLTAXOTEREA,B,K1IA00.73
TXLTAXOTEREA,B1TUB0.73
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,B1TW20.87
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,B1TW30.87
NCSB1KVH0.75
NCSA2NEO0.75
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.88
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.88
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.88
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.88
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.73
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.87
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.73